Structural trends in a series of iso­structural lanthanide–copper metallacrown sulfates (Ln^III = Pr, Nd, Sm, Eu, Gd, Dy and Ho): hexa­aqua­penta­kis[μ₃-glycinehydroxamato(2−)]sulfatopenta­copper(II)lanthanide(III) hepta­aqua­penta­kis­[μ₃-glycine­hydroxamato(2−)]sulfato­pentacopper(II)lanthanide(III) sulfate hexa­hydrate

The seven isostructural complexes, [Cu₅Ln(C₂H₄N₂O₂)₅(SO₄)(H₂O)_6.5]₂(SO₄)·6H₂O, where Ln^III = Pr, Nd, Sm, Eu, Gd, Dy and Ho, are representatives of the 15-metallacrown-5 family. Each dianion of glycinehydroxamic acid (GlyHA) links two Cu^II cations forming a cyclic [CuGlyHA]₅ frame. The Ln^III cations are located at the centre of the [CuGlyHA]₅ rings and are bound by the five hydroxamate O atoms in the equatorial plane. Five water mol­ecules are coordinated to Cu^II cations, and one further water mol­ecule, located close to an inversion centre between two adjacent [Cu₅Ln(GlyHA)₅]²⁺ cations, is disordered around this inversion centre and coordinated to a Cu^II cation of either the first or second metallacrown ether. Another water mol­ecule and one of the two crystallographically independent sulfate anions are coordinated, the latter in a bidentate fashion, to the Ln^III cation in the axial positions. The second sulfate anion is not coordinated to the cation, but is located in an inter­stitial position on a crystallographic inversion centre, thus leading to disorder of the O atoms around the centre of inversion. The Ln—O bond distances follow the trend of the lanthanide contraction. The apical Ln—O bond distances are very close to the sums of the ionic radii. However, the Ln—O distances within the metallacrown units are slightly compressed and the Ln^III cations protrude significantly from the plane of the otherwise flat metallacrown ligand, thus indicating that the cavity is somewhat too small to accommodate the Ln^III ions comfortably. This effect decreases with the size of the lanthanide cation from complex (I) (Ln^III = Pr; 0.459 Å) to complex (VII) (Ln^III = Ho; 0.422 Å), which indicates that the smaller lanthanide cations fit the cavity of the penta­copper metallacrown ring better than the larger ones. The diminished contraction of Ln—O distances within the metallacrown planes leads to an aniostropic contraction of the unit-cell parameters, with a, c and V following the trend of the lanthanide contraction. The b axes, which are mostly aligned with the rigid planes of the metallacrown units, show only a little variation between the seven compounds.

S1. Comment

Mixed 3d–4f metal complexes continue to attract attention due to their potentially important properties, such as non-trivial magnetic behavior (Benelli & Gatteschi, 2002), catalytic activity (Shibasaki et al., 2008), luminescence (Sakamoto et al., 2001) and others. Magnetic ordering has been found in several 3d–4f heterometallic compounds (Novitchi et al., 2009), thus stimulating research in this area. 15-Metallacrown-5 complexes containing 3d and lanthanide metals are ideally suited for investigations of the influence of structure on magnetic properties, since complete series of these compounds that differ only in the nature of the lanthanide can be synthesized with relative ease. Complexes of this type can be used as sensors (Tegoni et al., 2009), as building blocks for coordination polymers and for the construction of supramolecular assemblies (Cutland et al., 2001), so the synthesis and characterization of new metallacrown complexes are of interest. Here, we report the structures of a series of isostructural heterohexanuclear copper–lanthanide complexes, {[Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]}₂(SO₄).6H₂O, where Ln^III = Pr, (I), Nd, (II), Sm, (III), Eu, (IV), Gd, (V), Dy, (VI), and Ho, (VII), derived from the dianion of glycinehydroxamic acid, H₂N–CH₂–C(O)–NHOH or GlyHA.

The compounds (I)–(VII) reported here (Fig. 1; Tables 1, 3, 5, 7, 9, 11 and 13) are isostructural in space group P1. Each unit cell contains two hexanuclear metallacrown cations, each with six coordinated water molecules, and one more coordinated water molecule that is disordered over two positions with occupation factors of 0.5 and coordinated to atom Cu2 of one of the two hexanuclear cations. Thus, the compound contains ([Cu₅Ln(GlyHA)₅(SO₄)(H₂O)₆]⁺ and [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)₇]⁺) cations in a 1:1 ratio in each unit cell. In addition, the unit cell contains one non-coordinated sulfate dianion and six non-coordinated water molecules.

Since the seven compounds are isostructural, the structure will be described in general and only significant differences between the structures will be specifically noted. A common atom-numbering scheme was used for all the complexes. Compounds (I)–(VII) consist of hexanuclear metallacrown cations [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)₆]⁺ and [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)₇]⁺, which are charge-compensated by non-coordinated sulfate dianions (0.5 per Cu₅Ln cation). One water molecule (that of O19) is equally disordered over two positions close to an inversion centre in between two different Cu₅Ln cations and is coordinated to atom Cu2 of one of the two metallacrown cations, so that one Cu₅Ln cation may be considered as being coordinated by six water molecules {with a composition of [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)₆]⁺} and the second as having seven coordinated water molecules {with a composition of [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)₇]⁺}. Since the two cations are crystallographically indentical (they are related through the above-mentioned inversion centre) they will herein be referred to simply as [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺.

Each of the [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺ cations consists of a cyclic pentacopper core, formed from five Cu^II cations and five doubly deprotonated GlyHA^2- dianions (Fig. 2). Each GlyHA^2- dianion is linked to two Cu²⁺ cations, and in turn each Cu²⁺ cation is bound by two hydroxamates. The coordination modes of all five GlyHA^2- dianions are similar. The bonds that do not involve metal cations vary only insignificantly (both within the different complexes and between different ligands in one complex). All N—O bonds in complexes (I)–(VII) fall in the range 1.388 (3)–1.399 (4) Å, C—N(hydroxamate) in the range 1.288 (6)–1.301 (4) Å, C—C bonds in the range 1.495 (7)–1.515 (4) Å, C—N(amino) in the range 1.476 (6)–1.493 (3) Å and C═O bonds in the range 1.286 (5)–1.304 (4) Å. The deviation of the N—O bonds from the highest value within one compound in all complexes varies between 0.27 and 0.79%. For the C—N(hydroxamate) bonds the deviation is 0.39–1.00%, for C—C bonds 0.60–1.19%, for C—N(amino) 0.47–1.00%, and for the C═O bonds 0.08–1.00%. In contrast with the non-metal bonds, the variation within similar coordination bonds is higher, both between and within the seven complexes. Cu—N(amino) bond lengths are in the range 1.992 (4)–2.021 (2) Å, Cu—N(hydroxamate) bonds in the range 1.887 (3)–1.926 (2) Å, Cu—O(carboxylate) in the range 1.931 (3)–1.972 (2) Å and Cu—O(hydroxamate) in the range 1.915 (2)–1.946 (2) Å.

All the glycinehydroxamate dianions in (I)–(VII) are almost flat. The deviations of the C atoms from the mean planes of the GlyHA^2- dianions (as defined by all non-H atoms) are generally higher than the deviations of the hydroxamate O and N atoms, but even the largest deviation from its corresponding mean plane does not exceed 0.163 (2) Å [for atom C2 in compound (V)].

The Ln^III cations are located in the centre of the[CuGlyHA]₅ ring and are bound by five O atoms of the hydroxamate ligands. All bond distances and angles in the [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺ cations of (I)–(VII) are in the ranges typical for metallacrowns (Stemmler et al., 1999). The Cu^II cations have - to a first approximation - a square-planar coordination which is augmented by more loosely coordinated water molecules in one or both of the axial positions of the Cu^II cations. The equatorial coordination environment of the Cu^II cations is made up of two N atoms (one from the amino group and one from the doubly deprotonated hydroxamate group) and two O atoms (one from the N—O group and one carbonyl O atom). The Cu—O and Cu—N distances range between 1.891 (3) and 2.016 (3) Å. In previously reported 15-MC-5 metallacrown complexes based on glycine hydroxamate, {Eu(NO₃)₂OH[15-MC_{Cu(II)N(GlyHa)}-5](H₂O)₄}.4H₂O (Stemmler et al., 1999) and {Gd(NO₃)(H₂O)₂[15-MC_Cu^II_N(GlyHa)-5](NO₃)(H₂O)₄}NO₃.5H₂O) (Parac-Vogt et al., 2006), in which Eu^III and Gd^III cations are encapsulated in the centre of the [Cu₅(GlyHA)₅] cation, the lengths of the equatorial Cu—O and Cu—N bonds are in the ranges 1.877 (1)–2.022 (2) Å for the Eu^III complex and 1.875 (1)–2.033 (2) Å for the Gd^III complex, which are in good agreement with the values found for (I)–(VII). Hence the influence, if any, of the counterion (sulfate or nitrate) on the bond lengths within the hexanuclear core is not significant.

Three of the five Cu^II cations in (I)–(VII), Cu3, Cu4 and Cu5, are in addition coordinated by a water molecule in their apical positions (O16, O17 and O18, respectively), which completes the coordination environments of these three cations to square-pyramidal, with an N₂O₃ donor set. These axial Cu—O bonds are significantly longer than the equatorial Cu—O bonds, evidencing a Jahn–Teller like distortion [for example, in compound (II), Cu3—O16 = 2.505 (2), Cu4—O17 = 2.470 (2) and Cu5—O18 = 2.380 (2) Å]. One of the Cu^II cations, Cu1, is coordinated by two water molecules (atoms O20 and O21) in both its apical positions and thus has a distorted octahedral N₂O₄ coordination environment. These Cu—O bonds are again longer than the Cu—O bonds within the equatorial plane [for example, in (II), Cu1—O20 = 2.591 (2) and Cu1—O21 = 2.732 (2) Å]. The last Cu^II cation, Cu2, again possesses a coordinated water molecule in one of its apical positions, but it is only half occupied due to the disorder of this molecule across the nearby inversion centre, so that 50% of the Cu2 cations are square-planar and 50% have a square-pyramidal environment [for example, in (II), Cu2—O19 = 2.370 (4) Å].

The coordination environments of the Ln^III cations (Pr1, Nd1, Sm1, Eu1, Gd1, Dy1 and Ho1) contain five hydroxamate O atoms in their equatorial plane; the Ln1—O bond lengths decrease consecutively from complex (I) to complex (VII) due to the change of ionic radius of lanthanides [the Ln1—O bond lengths in the equatorial plane fall in the ranges 2.425 (2)–2.472 (2) Å for (I) (Pr^III), 2.415 (2)–2.464 (2) Å for (II) (Nd^III), 2.398 (4)–2.449 (3) Å for (III) (Sm^III), 2.389 (3)–2.437 (3) Å for (IV) (Eu^III), 2.378 (3)–2.434 (3) Å for (V) (Gd^III), 2.364 (2)–2.423 (2) Å for (VI) (Dy^III) and 2.356 (2)–2.416 (2) Å for (VII) (Ho^III)] (Figs. 3 and 4). The equatorial Gd—O bonds in previously reported {Gd(NO₃)(H₂O)₂[15-MC_Cu^II_N(GlyHa)-5](NO₃)(H₂O)₄}NO₃.5H₂O (Stemmler et al., 1999) are in the range 2.400 (1)–2.493 (1) Å, which is approximately 0.02–0.06 Å longer than in (V). Similarly, the Eu—O equatorial bonds in the earlier reported nitrate analogue, {Eu(NO₃)₂OH[15-MC_Cu^II_N(GlyHa)-5](H₂O)₄}.4H₂O [2.406 (1)–2.493 (1) Å; Parac-Vogt et al., 2006] are also longer by approximately 0.017–0.056 Å than in (IV). The higher degree of planarity found in the nitrate complexes compared with the sulfates (see below) might be one of the reasons for the longer equatorial Ln—O bonds in the former compounds than the latter. The equatorial Ln—O bond lengths in (I)–(VII) are shorter than the sums of the ionic radii of O^2- and Ln^III (for a coordination number of 8; Shannon, 1976), which provides evidence for some strain caused by trying to fit the lanthanide cations into the metallacrown cavity (a similar situation was observed in the aforementioned nitrate analogues). This observation is further substantiated by the fact that the Ln^III cations are not perfectly in plane with the metallacrown units but protrude significantly from this plane, thus indicating that the cavity is somewhat too small to accommodate the Ln^III cations comfortably (see below).

The coordination environment of the Ln1 cations is completed by O atoms from the sulfate anions and coordinated water molecules. One of the two crystallographically distinct sulfate dianions is coordinated to Ln1 through two O atoms, O11 and O12 [the Ln1—O11 bond lengths are in the range 2.417 (2)–2.525 (2)Å and Ln1—O12 in the range 2.414 (2)–2.528 (2) Å]. The coordination polyhedron of Ln1 is completed by atom O15 of a coordinated water molecule [the range of Ln1—O15 bond lengths is 2.357 (2)–2.495 (2) Å], so that the sulfate anion and water molecule are mutually trans and the coordination number of Ln^III is 8. Similar to the Ln—O bonds in the equatorial plane, the Ln1—O11, Ln—O12 and Ln—O15 bond lengths decrease consecutively from (I) to (VII), so that the lowest values in the above ranges correspond to (VII) and the highest to (I) (Fig. 5). The values of the apical Ln—O bond distances are very close to the sums of the ionic radii of O^2- and Ln^III (for a coordination number of 8; Shannon, 1976). This indicates that, in contrast with the equatorial Ln—O bonds, there are no spatial restrictions for the sulfate coordination, as the SO₄^2- anions can be located at any distance from the Ln^III cation.

The separations between Ln1 and the Cu^II cations, and between adjacent Cu^II cations, in complexes (I)–(VII) are given in Table 16. While the Ln···Cu separations decrease consecutively from (I) to (VII), again evidencing the lanthanide contraction, there is no definite dependence in the change of Cu···Cu distances. The individual Cu···Cu distances are thus little affected by the nature of the lanthanide cation. However, the overall shape of the whole Cu₅(GlyHA)₅ metallacrown unit depends somewhat on the size of the Ln^III cation. Opposite the sulfate anion, all the Cu₅ crowns are noticeably bowed. The metallacrown fragments [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺ in (I)–(VII) are not planar but are slightly distorted, in that the Ln1 cations deviate from the mean plane of the five Cu^II cations. The amount by which the Ln^III cations protrude from the mean plane of the Cu^II cations decreases consecutively with the size of the Ln^III cation from (I) (0.459 Å) to (VII) (0.422 Å), which indicates that the smaller lanthanide cations better fit the cavity of the pentacopper metallacrown ring than the larger ones.

In the previously reported nitrate analogues, {Eu(NO₃)₂OH[15-MC_Cu^II_N(GlyHa)-5](H₂O)₄}.4H₂O (Stemmler et al., 1999) and {Gd(NO₃)(H₂O)₂[15-MC_Cu^II_N(GlyHa)-5](NO₃)(H₂O)₄}NO₃.5H₂O (Parac-Vogt et al., 2006), the deviations of the Ln^III cations from the mean planes of the Cu^II cations are 0.351 (for Eu^III) and 0.405 Å (for Gd^III), respectively, which are lower by 0.088 and 0.025 Å than the deviations of the Ln^III cations from the Cu₅ planes in (IV) and (V), respectively. The coordination of the sulfate anion to Cu₅Ln(GlyHA)₅³⁺ thus seems to be leading to somewhat stronger distortion of the metallacrown cation from planarity than in the above-mentioned nitrate analogues, despite the similar coordination modes of SO₄^2- and NO₃^-. Possible reasons may include the different sizes of sulfate and nitrate, and especially the different charges of these anions.

The largest deviation among non-H atoms from the mean plane of the five Cu^II cations is observed for atom O2; from (I) to (VII), this value increases systematically from 0.978 to 1.055 Å. The values for the Ln1 and O2 deviations from the pentacopper plane are given in Table 15 and the dependence of these values on the ionic radii of the lanthanides (for coordination number 8) are presented in Figs. 6 and 7. The r.m.s. deviations of the non-H atoms from the metallacrown plane of all non-H atoms increase consecutively from (I) (0.400 Å) to (VII) (0.421 Å).

The variations in geometry of (I)–(VII) that accompany the change in ionic radius of the lanthanides are not limited to the individual compexes, but also affect the unit-cell geometries and volumes. The b-axis values, which are mostly aligned with the rigid planes of the metallacrown units, show only a small change with atomic number and fluctuate around 11.57 Å. The a and c axes, on the other hand, are partially aligned with the axial Ln—O bonds and consequently follow the trend of the axial lanthanide bond lengths (see above). Except for the Eu metallacrown, (IV), the unit-cell parameters a and c decrease when going from the lightest lanthanide in the series [Pr, (I)] to the heaviest [Ho, (VII)], and decrease consecutively from 9.6649 (17) to 9.5859 (8) Å, and from 16.279 (3) to 16.1967 (14) Å, respectively (Fig. 8). The unit-cell volumes follow the trend of the a and c axes and decrease in the series (I)–(VII) (Fig. 9).

The crystal structures of (I)–(VII) also contain one non-coordinated sulfate dianion per pair of [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺ complex cations and interstitial uncoordinated water molecules. Both the sulfate anion and the water molecule are bound to the complex cation via a network of strong O—H···O hydrogen bonds (see hydrogen-bond Tables 2, 4, 6, 8, 10, 12 and 14 for numeric details). The sulfate anion is located on an inversion centre and its O atoms are disordered between two mutually exclusive positions with occupancy factors of 0.5.

In all the complexes (I)–(VII), the metallacrown units are monomeric and not bound to each other via covalent bonds. In particular, formation of polymers or stacks (dimers or trimers) is not observed. This seems to be typical behaviour for 15-MC-5 systems. For the nitrate-containing europium complex {Eu(NO₃)₂OH[15-MC_{Cu(II)N(GlyHa)}-5](H₂O)₄}.4H₂O (Stemmler et al., 1999) and the gadolinium analogue {Gd(NO₃)(H₂O)₂[15-MC_Cu^II_N(GlyHa)-5](NO₃)(H₂O)₄}NO₃.5H₂O (Parac-Vogt et al., 2006) of the metallacrowns based on glycinehydroxamic acid, for example, no such aggregation of neighbouring cations via covalent bonds was observed. In contrast, formation of dimers (Gaynor et al., 2001) or trimers (Pavlishchuk et al., 2010) from metallacrown units, as well as their aggregation in one-dimensional chains (Kurzak et al., 1991), have been described for 12-MC-4 systems. For 15-MC-5 cations, only a few examples of aggregation of via covalent bonds have been reported. One of the few examples is the Sm^III–Cu^II complex obtained from phenylalanine hydroxamic acid, [{Sm(NO₃)}{15-MC_Cu^IIN_(l-pheHA)-5}](NO₃), in which neighbouring metallacrown units are bound through equatorial and apical Cu—O contacts (Cutland-Van Noord et al., 2002). In (I)–(VII), neighbouring [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺ complex cations are connected via an extended system of strong hydrogen bonds (O6···H17B, O10···H21B, O12···H8B, O15···H2A, O17···H16A, O18···H21A and O20···H10A; for the corresponding bond distances and symmetry operators, see the hydrogen-bond geometry Tables 2, 4, 6, 8, 10, 12 and 14). These strong hydrogen bonds between the heptanuclear cations [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺ and the non-coordinated sulfate dianions, and the electrostatic interactions between cations and anions, govern the packing of complexes (I)–(VII). The total solvent-accessible volume in (I)–(VII), as estimated using the program PLATON (Spek, 2009), is between 15.5 and 16.5% (267–285 ų) of the unit-cell volumes for a probe molecule with r = 1.4 Å (all non-coordinated and coordinated water molecules were removed). This volume is completely occupied by water. In particular, there are three non-coordinated water molecules per [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]⁺ complex cation in (I)–(VII), which occupy about 4.6–4.8% of the cell volume (79–84 ų, calculated as above).

In summary, a series of isostructural lanthanide–copper complexes, [Cu₅Ln(GlyHA)₅(SO₄)(H₂O)_6.5]₂(SO₄).6H₂O (where GlyHA is the dianion of doubly deprotonated glycinehydroxamic acid and Ln^III = Pr, Nd, Sm, Eu, Gd, Dy and Ho), were isolated and their crystal structures determined. The values of the unit-cell parameters (a, c and V) and the Ln—O bond lengths were found to be governed by lanthanide contraction. The complex metallacrown cation is not planar, with the lanthanide cation protruding from the plane of the metallacrown ligand. The degree of deviation from planarity was found to be governed by the radius of the lanthanide cation.

Related literature

For related literature, see: Benelli & Gatteschi (2002); Cutland et al. (2001); Cutland-Van Noord, Kampf & Pecoraro (2002); Gaynor et al. (2001); Kurzak et al. (1991); Novitchi et al. (2009); Parac-Vogt, Pacco, Nockemann, Laurent, Muller, Wickleder, Meyer, Elst & Binnemans (2006); Pavlishchuk et al. (2010); Sakamoto et al. (2001); Shannon (1976); Shibasaki et al. (2008); Spek (2009); Stemmler et al. (1999); Tegoni et al. (2009).

S2. Experimental

All compounds were prepared by the following general method. Copper(II) sulfate pentahydrate (2.49 g, 10 mmol) was dissolved in water (10 ml) and mixed with a solution of Ln(NO₃)₃.xH₂O (2 mmol) in water (5 ml), followed by the addition of a solution of the sodium salt of glycinehydroxamic acid, C₂H₅O₂N₂Na (1.12 g, 10 mmol), in water (10 ml) with stirring. Slow evaporation resulted in the formation of dark-blue crystals. The masses of Ln(NO₃)₃.xH₂O used in the syntheses, the yields of (I)–(VII) and data for the elemental analyses are given in Table 15.

S3. Refinement

One of the sulfate anions is located on an inversion centre and its O atoms are 1:1 disordered. One of the water molecules is disordered over two crystallographically equivalent positions in between two crystallographically equivalent neighbouring molecules and is bonded to one or the other via one of the Cu^II cations of the metalla macrocycles.

Methylene and amine H atoms were placed in calculated positions and were refined as riding on their respective parent atoms, with C—H = 0.99 Å and N—H = 0.92 Å, and with U_iso(H) = 1.2U_eq(C,N). Water H atoms were located in difference density Fourier maps and refined with the O—H distances restrained to 0.84 (2) Å, and with U_iso(H) = 1.5U_eq(O).

Computing details

For all compounds, data collection: APEX2 (Bruker, 2009); cell refinement: APEX2 (Bruker, 2009); data reduction: APEX2 (Bruker, 2009); program(s) used to solve structure: SHELXTL (Version 6.14; Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Version 6.14; Sheldrick, 2008); molecular graphics: SHELXTL (Version 6.14; Sheldrick, 2008) and Mercury (Macrae et al., 2008); software used to prepare material for publication: SHELXTL (Version 6.14; Sheldrick, 2008) and publCIF (Westrip, 2010).

Figures

	Fig. 1. The crystal structure of (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 50% probability level. Dashed lines indicate disorder of the noncoordinated sulfate anion and of the half-occupied water molecule (O19). [Symmetry code: (ii) -x, -y, -z + 1.]
	Fig. 2. A view of the complete unit cell of the crystal structure of (I). Disorder of the sulfate O atoms and of the partially occupied water molecule has been omitted for clarity.
	Fig. 3. The dependence of the Ln—O1, Ln—O3, Ln—O5 and Ln—O7 bond lengths on the atomic number of the lanthanide in (I)–(VII).
	Fig. 4. The dependence of the Ln—O9 bond lengths on the atomic number of the lanthanide in (I)–(VII), and expected values calculated from the sum of the ionic radii.
	Fig. 5. The dependence of the Ln—O11, Ln—O12 and Ln—O15 bond lengths on the atomic number of the lanthanide in (I)–(VII).
	Fig. 6. The dependence of the deviation of Ln1 from the Cu1/Cu2/Cu3/Cu4/Cu5 plane on the ionic radii of the lanthanide (for coordination number 8) in (I)–(VII).
	Fig. 7. The dependence of the deviation of atom O2 from the Cu1/Cu2/Cu3/Cu4/Cu5 plane on the ionic radii of the lanthanide (for coordination number 8) in (I)–(VII).
	Fig. 8. Plots of unit-cell parameters a, b and c (Å) versus lanthanide atomic number Z in (I)–(VII). Solid lines are to guide the trend.
	Fig. 9. The dependence of the unit-cell volume V (Å^3) on the atomic number Z of the lanthanide in (I)–(VII).

(I) hexaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) heptaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)praseodymium(III) sulfate hexahydrate

Crystal data

[Cu5Pr(C2H4N2O2)5(SO4)(H2O)6.5]2(SO4)·6H2O	Z = 1
Mr = 2428.56	F(000) = 1202
Triclinic, P1	Dx = 2.331 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.6649 (17) Å	Cell parameters from 7858 reflections
b = 11.578 (2) Å	θ = 2.2–30.6°
c = 16.279 (3) Å	µ = 4.60 mm^−1
α = 99.518 (2)°	T = 100 K
β = 91.296 (2)°	Plate, blue
γ = 105.156 (2)°	0.43 × 0.41 × 0.10 mm
V = 1730.0 (5) Å^3

Data collection

Bruker SMART APEX CCD area-detector diffractometer	10309 independent reflections
Radiation source: fine-focus sealed tube	8778 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.042
ω scans	θmax = 31.5°, θmin = 1.3°
Absorption correction: multi-scan (APEX2; Bruker, 2009)	h = −14→13
Tmin = 0.499, Tmax = 0.746	k = −16→16
34050 measured reflections	l = −23→23

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.029	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.069	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0259P)^2 + 1.7988P] where P = (Fo^2 + 2Fc^2)/3
10309 reflections	(Δ/σ)max = 0.001
562 parameters	Δρmax = 1.64 e Å^−3
20 restraints	Δρmin = −1.29 e Å^−3

Special details

Experimental. Reflections -6 - 12 7, -2 9 16, and -2 8 17 were located behind the beamstop, were not properly mapped out and were thus omitted from the refinement.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4390 (3)	0.2600 (2)	0.50462 (16)	0.0115 (5)
C2	0.3577 (3)	0.2931 (3)	0.57888 (17)	0.0150 (5)
H2C	0.3158	0.2199	0.6033	0.018*
H2D	0.4243	0.3536	0.6221	0.018*
C3	0.6800 (3)	0.0418 (2)	0.24967 (16)	0.0123 (5)
C4	0.6934 (4)	−0.0378 (3)	0.31199 (17)	0.0178 (6)
H4C	0.6332	−0.1215	0.2913	0.021*
H4D	0.7945	−0.0408	0.3182	0.021*
C5	0.7926 (3)	0.3492 (2)	0.03165 (16)	0.0117 (5)
C6	0.8901 (3)	0.2717 (3)	−0.00032 (18)	0.0158 (5)
H6C	0.8827	0.2562	−0.0621	0.019*
H6D	0.9910	0.3154	0.0189	0.019*
C7	0.5268 (3)	0.7016 (2)	0.12849 (16)	0.0115 (5)
C8	0.6035 (3)	0.7522 (2)	0.05714 (17)	0.0122 (5)
H8C	0.5348	0.7364	0.0079	0.015*
H8D	0.6441	0.8412	0.0733	0.015*
C9	0.2200 (3)	0.5882 (2)	0.39020 (17)	0.0128 (5)
C10	0.1705 (3)	0.6985 (3)	0.38174 (18)	0.0172 (6)
H10C	0.0647	0.6750	0.3711	0.021*
H10D	0.1956	0.7582	0.4344	0.021*
Cu1	0.57114 (4)	0.15198 (3)	0.38911 (2)	0.01249 (7)
Cu2	0.71991 (4)	0.16363 (3)	0.12444 (2)	0.01392 (7)
Cu3	0.68689 (4)	0.53667 (3)	0.07935 (2)	0.01079 (7)
Cu4	0.35219 (4)	0.65100 (3)	0.24810 (2)	0.01085 (7)
Cu5	0.28350 (4)	0.40370 (3)	0.44485 (2)	0.01174 (7)
Pr1	0.482183 (15)	0.356361 (13)	0.242001 (8)	0.00917 (4)
N1	0.4224 (2)	0.3133 (2)	0.44248 (14)	0.0119 (4)
N2	0.2415 (3)	0.3443 (2)	0.55301 (14)	0.0148 (5)
H2A	0.2346	0.4076	0.5936	0.018*
H2B	0.1551	0.2855	0.5467	0.018*
N3	0.6122 (3)	0.1224 (2)	0.27349 (14)	0.0129 (4)
N4	0.6475 (3)	0.0090 (2)	0.39456 (15)	0.0169 (5)
H4A	0.7246	0.0312	0.4335	0.020*
H4B	0.5776	−0.0516	0.4113	0.020*
N5	0.7058 (2)	0.3079 (2)	0.08623 (14)	0.0113 (4)
N6	0.8501 (2)	0.1538 (2)	0.03024 (14)	0.0124 (4)
H6A	0.9317	0.1361	0.0485	0.015*
H6B	0.8041	0.0926	−0.0127	0.015*
N7	0.5588 (2)	0.6060 (2)	0.14584 (14)	0.0123 (4)
N8	0.7211 (2)	0.6933 (2)	0.03566 (14)	0.0124 (4)
H8A	0.8077	0.7449	0.0584	0.015*
H8B	0.7253	0.6782	−0.0214	0.015*
N9	0.2972 (2)	0.5547 (2)	0.33172 (14)	0.0112 (4)
N10	0.2393 (3)	0.7548 (2)	0.31182 (15)	0.0154 (5)
H10A	0.2995	0.8304	0.3328	0.019*
H10B	0.1696	0.7648	0.2763	0.019*
O1	0.4981 (2)	0.28598 (17)	0.37326 (11)	0.0126 (4)
O2	0.5183 (2)	0.18568 (18)	0.50518 (12)	0.0141 (4)
O3	0.6064 (2)	0.19761 (18)	0.21573 (12)	0.0161 (4)
O4	0.7347 (2)	0.02843 (17)	0.17785 (12)	0.0133 (4)
O5	0.6188 (2)	0.38224 (17)	0.11673 (11)	0.0117 (4)
O6	0.8014 (2)	0.45178 (17)	0.00745 (12)	0.0142 (4)
O7	0.4862 (2)	0.55840 (17)	0.21116 (12)	0.0133 (4)
O8	0.4351 (2)	0.75088 (17)	0.16709 (12)	0.0137 (4)
O9	0.3487 (2)	0.45592 (17)	0.34263 (12)	0.0123 (4)
O10	0.1872 (2)	0.53341 (18)	0.45304 (12)	0.0152 (4)
O11	0.2791 (2)	0.16354 (18)	0.21899 (12)	0.0158 (4)
O12	0.2602 (2)	0.31862 (17)	0.14553 (12)	0.0137 (4)
O13	0.1358 (2)	0.10956 (18)	0.08632 (12)	0.0159 (4)
O14	0.0503 (2)	0.2117 (2)	0.20753 (13)	0.0204 (4)
O15	0.7318 (2)	0.46209 (19)	0.30205 (13)	0.0161 (4)
H15A	0.771 (4)	0.423 (3)	0.328 (2)	0.024*
H15B	0.783 (3)	0.495 (3)	0.2666 (19)	0.024*
O16	0.8874 (2)	0.5795 (2)	0.18988 (14)	0.0189 (4)
H16A	0.965 (3)	0.565 (3)	0.180 (2)	0.028*
H16B	0.902 (4)	0.651 (2)	0.214 (2)	0.028*
O17	0.1445 (2)	0.52467 (19)	0.15350 (12)	0.0157 (4)
H17A	0.163 (4)	0.462 (2)	0.159 (2)	0.024*
H17B	0.159 (4)	0.533 (3)	0.1053 (13)	0.024*
O18	0.0750 (2)	0.2544 (2)	0.37801 (13)	0.0183 (4)
H18A	0.047 (4)	0.192 (2)	0.398 (2)	0.027*
H18B	0.067 (4)	0.238 (3)	0.3269 (12)	0.027*
O19	0.5252 (6)	0.0434 (6)	0.0311 (3)	0.0387 (14)	0.50
H19A	0.466 (11)	−0.009 (8)	0.052 (6)	0.058*	0.50
H19B	0.533 (15)	0.023 (11)	−0.021 (2)	0.058*	0.50
O20	0.3083 (2)	0.02309 (19)	0.35121 (14)	0.0193 (4)
H20A	0.250 (3)	0.024 (4)	0.386 (2)	0.029*
H20B	0.288 (4)	0.062 (3)	0.316 (2)	0.029*
O21	0.8262 (2)	0.3285 (2)	0.39700 (14)	0.0231 (5)
H21A	0.904 (3)	0.312 (4)	0.392 (3)	0.035*
H21B	0.829 (4)	0.372 (3)	0.4440 (15)	0.035*
O22	0.9736 (3)	0.8135 (2)	0.27213 (15)	0.0269 (5)
H22A	0.980 (5)	0.860 (3)	0.3177 (17)	0.040*
H22B	0.975 (5)	0.857 (3)	0.236 (2)	0.040*
O23	0.9376 (2)	0.90831 (19)	0.13533 (13)	0.0165 (4)
H23A	0.877 (3)	0.947 (3)	0.144 (2)	0.025*
H23B	1.003 (3)	0.956 (3)	0.116 (2)	0.025*
O24	0.3397 (4)	0.9423 (3)	0.12403 (16)	0.0400 (7)
H24A	0.340 (6)	1.001 (3)	0.161 (2)	0.060*
H24B	0.369 (5)	0.889 (4)	0.141 (3)	0.060*
O25	0.1616 (5)	0.0331 (5)	0.4919 (3)	0.0245 (10)	0.50
O26	−0.0317 (5)	−0.0167 (4)	0.5819 (2)	0.0192 (9)	0.50
O27	−0.0487 (5)	0.1036 (4)	0.4764 (3)	0.0211 (9)	0.50
O28	−0.0616 (5)	−0.1094 (4)	0.4360 (3)	0.0212 (9)	0.50
S1	0.17598 (7)	0.19782 (6)	0.16402 (4)	0.01259 (12)
S2	0.0000	0.0000	0.5000	0.01413 (18)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0106 (12)	0.0118 (12)	0.0122 (11)	0.0028 (10)	0.0027 (9)	0.0022 (10)
C2	0.0196 (14)	0.0174 (13)	0.0119 (12)	0.0089 (11)	0.0036 (10)	0.0069 (10)
C3	0.0110 (12)	0.0128 (12)	0.0135 (12)	0.0030 (10)	0.0032 (9)	0.0038 (10)
C4	0.0285 (16)	0.0165 (13)	0.0141 (12)	0.0135 (12)	0.0056 (11)	0.0060 (11)
C5	0.0112 (12)	0.0139 (12)	0.0111 (11)	0.0047 (10)	0.0021 (9)	0.0035 (10)
C6	0.0163 (13)	0.0153 (13)	0.0176 (13)	0.0059 (11)	0.0079 (10)	0.0042 (11)
C7	0.0117 (12)	0.0097 (12)	0.0121 (11)	0.0010 (10)	0.0011 (9)	0.0018 (9)
C8	0.0128 (12)	0.0127 (12)	0.0137 (12)	0.0058 (10)	0.0035 (10)	0.0061 (10)
C9	0.0123 (12)	0.0143 (12)	0.0129 (12)	0.0052 (10)	0.0023 (9)	0.0032 (10)
C10	0.0209 (15)	0.0202 (14)	0.0161 (13)	0.0126 (12)	0.0083 (11)	0.0063 (11)
Cu1	0.01633 (17)	0.01362 (16)	0.01128 (15)	0.00853 (13)	0.00467 (12)	0.00507 (12)
Cu2	0.01818 (17)	0.01211 (16)	0.01541 (16)	0.00782 (13)	0.00949 (13)	0.00639 (13)
Cu3	0.01220 (15)	0.01035 (15)	0.01141 (14)	0.00395 (12)	0.00525 (12)	0.00436 (12)
Cu4	0.01185 (15)	0.01088 (15)	0.01224 (15)	0.00533 (12)	0.00484 (12)	0.00475 (12)
Cu5	0.01317 (16)	0.01362 (16)	0.01165 (15)	0.00666 (13)	0.00563 (12)	0.00575 (12)
Pr1	0.00934 (7)	0.00931 (7)	0.01035 (7)	0.00351 (5)	0.00376 (5)	0.00394 (5)
N1	0.0136 (11)	0.0133 (11)	0.0115 (10)	0.0064 (9)	0.0055 (8)	0.0050 (8)
N2	0.0165 (12)	0.0169 (11)	0.0148 (11)	0.0084 (9)	0.0068 (9)	0.0068 (9)
N3	0.0173 (12)	0.0144 (11)	0.0120 (10)	0.0093 (9)	0.0047 (9)	0.0079 (9)
N4	0.0243 (13)	0.0177 (12)	0.0148 (11)	0.0125 (10)	0.0081 (10)	0.0075 (9)
N5	0.0121 (11)	0.0124 (10)	0.0120 (10)	0.0076 (9)	0.0044 (8)	0.0016 (8)
N6	0.0120 (11)	0.0132 (11)	0.0133 (10)	0.0054 (9)	0.0034 (8)	0.0021 (8)
N7	0.0141 (11)	0.0109 (10)	0.0139 (10)	0.0038 (9)	0.0070 (9)	0.0059 (8)
N8	0.0129 (11)	0.0114 (10)	0.0135 (10)	0.0027 (9)	0.0041 (8)	0.0040 (8)
N9	0.0127 (11)	0.0112 (10)	0.0142 (10)	0.0085 (9)	0.0045 (8)	0.0059 (8)
N10	0.0163 (12)	0.0121 (11)	0.0207 (12)	0.0062 (9)	0.0067 (9)	0.0062 (9)
O1	0.0156 (9)	0.0152 (9)	0.0107 (8)	0.0078 (8)	0.0083 (7)	0.0055 (7)
O2	0.0173 (10)	0.0168 (10)	0.0121 (9)	0.0099 (8)	0.0034 (7)	0.0045 (7)
O3	0.0233 (11)	0.0165 (10)	0.0153 (9)	0.0123 (8)	0.0105 (8)	0.0099 (8)
O4	0.0156 (10)	0.0123 (9)	0.0148 (9)	0.0065 (8)	0.0054 (7)	0.0049 (7)
O5	0.0126 (9)	0.0126 (9)	0.0133 (9)	0.0074 (7)	0.0060 (7)	0.0045 (7)
O6	0.0177 (10)	0.0130 (9)	0.0144 (9)	0.0061 (8)	0.0079 (7)	0.0055 (7)
O7	0.0155 (10)	0.0137 (9)	0.0144 (9)	0.0055 (8)	0.0090 (7)	0.0088 (7)
O8	0.0137 (9)	0.0122 (9)	0.0189 (9)	0.0066 (7)	0.0067 (7)	0.0070 (8)
O9	0.0170 (10)	0.0118 (9)	0.0131 (9)	0.0095 (8)	0.0050 (7)	0.0063 (7)
O10	0.0193 (10)	0.0170 (10)	0.0142 (9)	0.0101 (8)	0.0075 (8)	0.0071 (8)
O11	0.0171 (10)	0.0141 (9)	0.0153 (9)	0.0009 (8)	−0.0016 (8)	0.0056 (8)
O12	0.0141 (9)	0.0116 (9)	0.0153 (9)	0.0017 (7)	0.0019 (7)	0.0051 (7)
O13	0.0170 (10)	0.0162 (10)	0.0138 (9)	0.0037 (8)	0.0011 (7)	0.0021 (8)
O14	0.0132 (10)	0.0285 (12)	0.0180 (10)	0.0032 (9)	0.0056 (8)	0.0031 (9)
O15	0.0138 (10)	0.0209 (11)	0.0150 (9)	0.0048 (8)	0.0029 (8)	0.0067 (8)
O16	0.0137 (10)	0.0209 (11)	0.0217 (11)	0.0040 (9)	0.0058 (8)	0.0029 (9)
O17	0.0194 (10)	0.0164 (10)	0.0136 (9)	0.0066 (8)	0.0041 (8)	0.0062 (8)
O18	0.0182 (10)	0.0204 (11)	0.0163 (10)	0.0046 (9)	0.0046 (8)	0.0033 (8)
O19	0.028 (3)	0.052 (4)	0.023 (2)	−0.013 (3)	0.003 (2)	0.010 (2)
O20	0.0218 (11)	0.0178 (10)	0.0201 (11)	0.0062 (9)	0.0072 (9)	0.0066 (8)
O21	0.0203 (11)	0.0364 (13)	0.0153 (10)	0.0159 (10)	0.0002 (8)	−0.0009 (9)
O22	0.0333 (13)	0.0314 (13)	0.0216 (11)	0.0185 (11)	0.0011 (10)	0.0047 (10)
O23	0.0140 (10)	0.0137 (10)	0.0225 (10)	0.0045 (8)	0.0063 (8)	0.0030 (8)
O24	0.073 (2)	0.0319 (15)	0.0224 (13)	0.0350 (15)	−0.0135 (13)	−0.0050 (11)
O25	0.013 (2)	0.041 (3)	0.020 (2)	0.0043 (19)	0.0027 (16)	0.011 (2)
O26	0.026 (2)	0.021 (2)	0.0131 (19)	0.0066 (18)	0.0072 (16)	0.0075 (16)
O27	0.024 (2)	0.017 (2)	0.026 (2)	0.0080 (18)	0.0046 (18)	0.0094 (17)
O28	0.028 (2)	0.015 (2)	0.017 (2)	0.0000 (18)	0.0034 (17)	0.0010 (16)
S1	0.0122 (3)	0.0134 (3)	0.0116 (3)	0.0013 (2)	0.0021 (2)	0.0038 (2)
S2	0.0128 (4)	0.0132 (4)	0.0167 (4)	0.0037 (4)	−0.0007 (3)	0.0035 (4)

Geometric parameters (Å, º)

C1—O2	1.295 (3)	Pr1—O12	2.528 (2)
C1—N1	1.296 (3)	Pr1—S1	3.1557 (8)
C1—C2	1.508 (4)	N1—O1	1.395 (3)
C2—N2	1.482 (4)	N2—H2A	0.9200
C2—H2C	0.9900	N2—H2B	0.9200
C2—H2D	0.9900	N3—O3	1.393 (3)
C3—N3	1.289 (3)	N4—H4A	0.9200
C3—O4	1.297 (3)	N4—H4B	0.9200
C3—C4	1.504 (4)	N5—O5	1.396 (3)
C4—N4	1.486 (3)	N6—H6A	0.9200
C4—H4C	0.9900	N6—H6B	0.9200
C4—H4D	0.9900	N7—O7	1.397 (3)
C5—O6	1.295 (3)	N8—H8A	0.9200
C5—N5	1.299 (3)	N8—H8B	0.9200
C5—C6	1.508 (4)	N9—O9	1.396 (3)
C6—N6	1.489 (3)	N10—H10A	0.9200
C6—H6C	0.9900	N10—H10B	0.9200
C6—H6D	0.9900	O11—S1	1.495 (2)
C7—O8	1.295 (3)	O12—S1	1.5049 (19)
C7—N7	1.296 (3)	O13—S1	1.462 (2)
C7—C8	1.509 (3)	O14—S1	1.452 (2)
C8—N8	1.490 (3)	O15—H15A	0.820 (18)
C8—H8C	0.9900	O15—H15B	0.841 (18)
C8—H8D	0.9900	O16—H16A	0.830 (18)
C9—O10	1.294 (3)	O16—H16B	0.825 (18)
C9—N9	1.294 (3)	O17—H17A	0.813 (18)
C9—C10	1.501 (4)	O17—H17B	0.816 (18)
C10—N10	1.489 (3)	O18—H18A	0.820 (18)
C10—H10C	0.9900	O18—H18B	0.819 (18)
C10—H10D	0.9900	O19—H19A	0.84 (2)
Cu1—O1	1.9157 (19)	O19—H19B	0.85 (2)
Cu1—N3	1.926 (2)	O20—H20A	0.807 (18)
Cu1—O2	1.9716 (19)	O20—H20B	0.838 (18)
Cu1—N4	1.995 (2)	O21—H21A	0.825 (19)
Cu2—N5	1.912 (2)	O21—H21B	0.838 (19)
Cu2—O3	1.9165 (19)	O22—H22A	0.835 (19)
Cu2—O4	1.9463 (19)	O22—H22B	0.836 (19)
Cu2—N6	2.013 (2)	O23—H23A	0.824 (18)
Cu2—O19	2.364 (6)	O23—H23B	0.823 (18)
Cu3—N7	1.908 (2)	O24—H24A	0.829 (19)
Cu3—O5	1.9400 (18)	O24—H24B	0.826 (19)
Cu3—O6	1.9510 (19)	O25—S2	1.522 (4)
Cu3—N8	2.007 (2)	O25—O26^i	1.671 (6)
Cu4—N9	1.898 (2)	O25—O28^i	1.801 (6)
Cu4—O7	1.9328 (19)	O26—S2	1.408 (4)
Cu4—O8	1.9458 (18)	O26—O28^i	1.580 (6)
Cu4—N10	2.009 (2)	O26—O27^i	1.626 (6)
Cu5—N1	1.903 (2)	O26—O25^i	1.671 (6)
Cu5—O9	1.9268 (18)	O27—S2	1.500 (4)
Cu5—O10	1.9520 (19)	O27—O26^i	1.626 (6)
Cu5—N2	2.006 (2)	O27—O28^i	1.743 (6)
Cu5—O18	2.386 (2)	O28—S2	1.478 (4)
Pr1—O1	2.4247 (18)	O28—O26^i	1.580 (6)
Pr1—O3	2.4332 (19)	O28—O27^i	1.743 (6)
Pr1—O9	2.4344 (18)	O28—O25^i	1.801 (6)
Pr1—O7	2.4634 (19)	S2—O26^i	1.408 (4)
Pr1—O5	2.4716 (18)	S2—O28^i	1.478 (4)
Pr1—O15	2.495 (2)	S2—O27^i	1.500 (4)
Pr1—O11	2.525 (2)	S2—O25^i	1.522 (4)
O2—C1—N1	124.5 (2)	C3—N3—Cu1	118.50 (18)
O2—C1—C2	121.6 (2)	O3—N3—Cu1	126.01 (16)
N1—C1—C2	113.9 (2)	C4—N4—Cu1	111.01 (16)
N2—C2—C1	110.0 (2)	C4—N4—H4A	109.4
N2—C2—H2C	109.7	Cu1—N4—H4A	109.4
C1—C2—H2C	109.7	C4—N4—H4B	109.4
N2—C2—H2D	109.7	Cu1—N4—H4B	109.4
C1—C2—H2D	109.7	H4A—N4—H4B	108.0
H2C—C2—H2D	108.2	C5—N5—O5	114.7 (2)
N3—C3—O4	123.9 (2)	C5—N5—Cu2	118.65 (18)
N3—C3—C4	115.2 (2)	O5—N5—Cu2	126.35 (15)
O4—C3—C4	121.0 (2)	C6—N6—Cu2	109.91 (16)
N4—C4—C3	111.0 (2)	C6—N6—H6A	109.7
N4—C4—H4C	109.4	Cu2—N6—H6A	109.7
C3—C4—H4C	109.4	C6—N6—H6B	109.7
N4—C4—H4D	109.4	Cu2—N6—H6B	109.7
C3—C4—H4D	109.4	H6A—N6—H6B	108.2
H4C—C4—H4D	108.0	C7—N7—O7	114.5 (2)
O6—C5—N5	123.7 (2)	C7—N7—Cu3	119.77 (17)
O6—C5—C6	120.9 (2)	O7—N7—Cu3	125.59 (16)
N5—C5—C6	115.4 (2)	C8—N8—Cu3	110.47 (15)
N6—C6—C5	110.6 (2)	C8—N8—H8A	109.6
N6—C6—H6C	109.5	Cu3—N8—H8A	109.6
C5—C6—H6C	109.5	C8—N8—H8B	109.6
N6—C6—H6D	109.5	Cu3—N8—H8B	109.6
C5—C6—H6D	109.5	H8A—N8—H8B	108.1
H6C—C6—H6D	108.1	C9—N9—O9	114.8 (2)
O8—C7—N7	124.1 (2)	C9—N9—Cu4	119.75 (18)
O8—C7—C8	121.2 (2)	O9—N9—Cu4	124.89 (15)
N7—C7—C8	114.7 (2)	C10—N10—Cu4	111.07 (17)
N8—C8—C7	109.4 (2)	C10—N10—H10A	109.4
N8—C8—H8C	109.8	Cu4—N10—H10A	109.4
C7—C8—H8C	109.8	C10—N10—H10B	109.4
N8—C8—H8D	109.8	Cu4—N10—H10B	109.4
C7—C8—H8D	109.8	H10A—N10—H10B	108.0
H8C—C8—H8D	108.2	N1—O1—Cu1	107.66 (14)
O10—C9—N9	123.8 (3)	N1—O1—Pr1	125.01 (14)
O10—C9—C10	120.7 (2)	Cu1—O1—Pr1	125.31 (9)
N9—C9—C10	115.5 (2)	C1—O2—Cu1	105.16 (16)
N10—C10—C9	110.3 (2)	N3—O3—Cu2	109.97 (14)
N10—C10—H10C	109.6	N3—O3—Pr1	121.41 (14)
C9—C10—H10C	109.6	Cu2—O3—Pr1	128.42 (9)
N10—C10—H10D	109.6	C3—O4—Cu2	107.60 (16)
C9—C10—H10D	109.6	N5—O5—Cu3	108.26 (14)
H10C—C10—H10D	108.1	N5—O5—Pr1	123.09 (14)
O1—Cu1—N3	91.72 (8)	Cu3—O5—Pr1	123.67 (8)
O1—Cu1—O2	85.19 (8)	C5—O6—Cu3	107.44 (16)
N3—Cu1—O2	176.29 (9)	N7—O7—Cu4	108.90 (14)
O1—Cu1—N4	174.88 (9)	N7—O7—Pr1	123.12 (14)
N3—Cu1—N4	83.24 (9)	Cu4—O7—Pr1	125.71 (8)
O2—Cu1—N4	99.82 (9)	C7—O8—Cu4	107.67 (16)
N5—Cu2—O3	90.08 (8)	N9—O9—Cu5	109.10 (14)
N5—Cu2—O4	172.59 (9)	N9—O9—Pr1	124.88 (13)
O3—Cu2—O4	83.83 (8)	Cu5—O9—Pr1	125.84 (8)
N5—Cu2—N6	83.09 (9)	C9—O10—Cu5	107.71 (17)
O3—Cu2—N6	171.83 (9)	S1—O11—Pr1	100.28 (10)
O4—Cu2—N6	102.62 (9)	S1—O12—Pr1	99.87 (9)
N5—Cu2—O19	91.34 (18)	Pr1—O15—H15A	116 (3)
O3—Cu2—O19	96.10 (15)	Pr1—O15—H15B	112 (3)
O4—Cu2—O19	93.50 (17)	H15A—O15—H15B	114 (4)
N6—Cu2—O19	88.56 (15)	H16A—O16—H16B	109 (4)
N7—Cu3—O5	92.01 (8)	H17A—O17—H17B	105 (4)
N7—Cu3—O6	174.24 (10)	Cu5—O18—H18A	118 (3)
O5—Cu3—O6	84.15 (8)	Cu5—O18—H18B	119 (3)
N7—Cu3—N8	81.95 (9)	H18A—O18—H18B	110 (4)
O5—Cu3—N8	170.02 (9)	Cu2—O19—H19A	114 (8)
O6—Cu3—N8	101.23 (8)	Cu2—O19—H19B	123 (9)
N9—Cu4—O7	89.99 (8)	H19A—O19—H19B	115 (10)
N9—Cu4—O8	172.27 (9)	H20A—O20—H20B	106 (4)
O7—Cu4—O8	84.59 (8)	H21A—O21—H21B	109 (4)
N9—Cu4—N10	82.96 (9)	H22A—O22—H22B	105 (4)
O7—Cu4—N10	166.77 (10)	H23A—O23—H23B	103 (4)
O8—Cu4—N10	101.24 (9)	H24A—O24—H24B	114 (5)
N1—Cu5—O9	89.93 (8)	S2—O25—O26^i	52.10 (19)
N1—Cu5—O10	164.53 (10)	S2—O25—O28^i	52.0 (2)
O9—Cu5—O10	84.47 (8)	O26^i—O25—O28^i	88.1 (3)
N1—Cu5—N2	82.71 (9)	S2—O26—O28^i	58.9 (2)
O9—Cu5—N2	172.19 (9)	S2—O26—O27^i	58.7 (2)
O10—Cu5—N2	101.98 (9)	O28^i—O26—O27^i	97.7 (3)
N1—Cu5—O18	102.29 (9)	S2—O26—O25^i	58.5 (2)
O9—Cu5—O18	94.09 (8)	O28^i—O26—O25^i	95.1 (3)
O10—Cu5—O18	92.50 (8)	O27^i—O26—O25^i	93.6 (3)
N2—Cu5—O18	90.06 (9)	S2—O27—O26^i	53.4 (2)
O1—Pr1—O3	73.93 (6)	S2—O27—O28^i	53.6 (2)
O1—Pr1—O9	71.10 (6)	O26^i—O27—O28^i	91.6 (3)
O3—Pr1—O9	144.60 (6)	S2—O28—O26^i	54.7 (2)
O1—Pr1—O7	131.44 (6)	S2—O28—O27^i	54.8 (2)
O3—Pr1—O7	142.08 (6)	O26^i—O28—O27^i	93.0 (3)
O9—Pr1—O7	70.03 (6)	S2—O28—O25^i	54.2 (2)
O1—Pr1—O5	139.65 (6)	O26^i—O28—O25^i	90.7 (3)
O3—Pr1—O5	71.42 (6)	O27^i—O28—O25^i	85.4 (3)
O9—Pr1—O5	142.87 (6)	O14—S1—O13	111.34 (13)
O7—Pr1—O5	72.85 (6)	O14—S1—O11	111.01 (12)
O1—Pr1—O15	75.60 (7)	O13—S1—O11	110.98 (12)
O3—Pr1—O15	76.83 (7)	O14—S1—O12	109.92 (12)
O9—Pr1—O15	99.41 (7)	O13—S1—O12	109.73 (11)
O7—Pr1—O15	83.19 (7)	O11—S1—O12	103.60 (11)
O5—Pr1—O15	76.94 (7)	O14—S1—Pr1	118.75 (9)
O1—Pr1—O11	78.47 (6)	O13—S1—Pr1	129.89 (9)
O3—Pr1—O11	76.98 (7)	O11—S1—Pr1	51.94 (8)
O9—Pr1—O11	90.73 (7)	O12—S1—Pr1	52.11 (8)
O7—Pr1—O11	129.42 (7)	O26^i—S2—O26	180.000 (1)
O5—Pr1—O11	112.47 (6)	O26^i—S2—O28^i	113.7 (2)
O15—Pr1—O11	147.22 (7)	O26—S2—O28^i	66.3 (2)
O1—Pr1—O12	127.32 (6)	O26^i—S2—O28	66.3 (2)
O3—Pr1—O12	113.79 (7)	O26—S2—O28	113.7 (2)
O9—Pr1—O12	84.01 (7)	O28^i—S2—O28	180.000 (1)
O7—Pr1—O12	75.60 (6)	O26^i—S2—O27	67.9 (2)
O5—Pr1—O12	85.99 (6)	O26—S2—O27	112.1 (2)
O15—Pr1—O12	155.97 (6)	O28^i—S2—O27	71.6 (2)
O11—Pr1—O12	55.63 (6)	O28—S2—O27	108.4 (2)
O1—Pr1—S1	102.09 (5)	O26^i—S2—O27^i	112.1 (2)
O3—Pr1—S1	97.42 (6)	O26—S2—O27^i	67.9 (2)
O9—Pr1—S1	84.71 (5)	O28^i—S2—O27^i	108.4 (2)
O7—Pr1—S1	102.15 (5)	O28—S2—O27^i	71.6 (2)
O5—Pr1—S1	102.27 (5)	O27—S2—O27^i	179.999 (1)
O15—Pr1—S1	174.18 (5)	O26^i—S2—O25^i	110.6 (2)
O11—Pr1—S1	27.79 (5)	O26—S2—O25^i	69.4 (2)
O12—Pr1—S1	28.02 (4)	O28^i—S2—O25^i	106.2 (3)
C1—N1—O1	115.2 (2)	O28—S2—O25^i	73.8 (3)
C1—N1—Cu5	119.72 (18)	O27—S2—O25^i	74.6 (2)
O1—N1—Cu5	124.56 (16)	O27^i—S2—O25^i	105.4 (2)
C2—N2—Cu5	109.90 (16)	O26^i—S2—O25	69.4 (2)
C2—N2—H2A	109.7	O26—S2—O25	110.6 (2)
Cu5—N2—H2A	109.7	O28^i—S2—O25	73.8 (3)
C2—N2—H2B	109.7	O28—S2—O25	106.2 (3)
Cu5—N2—H2B	109.7	O27—S2—O25	105.4 (2)
H2A—N2—H2B	108.2	O27^i—S2—O25	74.6 (2)
C3—N3—O3	113.8 (2)	O25^i—S2—O25	180.0 (3)
O2—C1—C2—N2	−161.3 (2)	N8—Cu3—O6—C5	177.64 (18)
N1—C1—C2—N2	19.3 (3)	C7—N7—O7—Cu4	3.4 (3)
N3—C3—C4—N4	−10.3 (4)	Cu3—N7—O7—Cu4	−172.68 (13)
O4—C3—C4—N4	169.3 (3)	C7—N7—O7—Pr1	167.14 (18)
O6—C5—C6—N6	−174.7 (2)	Cu3—N7—O7—Pr1	−8.9 (3)
N5—C5—C6—N6	7.8 (4)	N9—Cu4—O7—N7	−178.33 (17)
O8—C7—C8—N8	169.3 (2)	O8—Cu4—O7—N7	−3.86 (16)
N7—C7—C8—N8	−11.7 (3)	N10—Cu4—O7—N7	−120.8 (4)
O10—C9—C10—N10	171.8 (3)	N9—Cu4—O7—Pr1	18.46 (13)
N9—C9—C10—N10	−7.5 (4)	O8—Cu4—O7—Pr1	−167.07 (12)
O2—C1—N1—O1	−0.3 (4)	N10—Cu4—O7—Pr1	76.0 (4)
C2—C1—N1—O1	179.1 (2)	O1—Pr1—O7—N7	139.97 (17)
O2—C1—N1—Cu5	171.9 (2)	O3—Pr1—O7—N7	17.8 (2)
C2—C1—N1—Cu5	−8.7 (3)	O9—Pr1—O7—N7	178.7 (2)
O9—Cu5—N1—C1	174.6 (2)	O5—Pr1—O7—N7	−2.34 (17)
O10—Cu5—N1—C1	106.1 (3)	O15—Pr1—O7—N7	76.05 (18)
N2—Cu5—N1—C1	−2.8 (2)	O11—Pr1—O7—N7	−107.66 (18)
O18—Cu5—N1—C1	−91.2 (2)	O12—Pr1—O7—N7	−92.56 (19)
O9—Cu5—N1—O1	−13.9 (2)	S1—Pr1—O7—N7	−101.62 (18)
O10—Cu5—N1—O1	−82.5 (4)	O1—Pr1—O7—Cu4	−59.07 (15)
N2—Cu5—N1—O1	168.7 (2)	O3—Pr1—O7—Cu4	178.77 (10)
O18—Cu5—N1—O1	80.3 (2)	O9—Pr1—O7—Cu4	−20.38 (11)
C1—C2—N2—Cu5	−20.4 (3)	O5—Pr1—O7—Cu4	158.61 (13)
N1—Cu5—N2—C2	13.27 (19)	O15—Pr1—O7—Cu4	−123.00 (12)
O10—Cu5—N2—C2	−151.77 (18)	O11—Pr1—O7—Cu4	53.29 (15)
O18—Cu5—N2—C2	115.66 (19)	O12—Pr1—O7—Cu4	68.40 (12)
O4—C3—N3—O3	−1.9 (4)	S1—Pr1—O7—Cu4	59.34 (12)
C4—C3—N3—O3	177.7 (2)	N7—C7—O8—Cu4	−3.0 (3)
O4—C3—N3—Cu1	−167.8 (2)	C8—C7—O8—Cu4	175.9 (2)
C4—C3—N3—Cu1	11.8 (3)	O7—Cu4—O8—C7	3.67 (18)
O1—Cu1—N3—C3	173.6 (2)	N10—Cu4—O8—C7	171.66 (18)
N4—Cu1—N3—C3	−7.3 (2)	C9—N9—O9—Cu5	0.0 (3)
O1—Cu1—N3—O3	9.6 (2)	Cu4—N9—O9—Cu5	171.54 (13)
N4—Cu1—N3—O3	−171.3 (2)	C9—N9—O9—Pr1	175.25 (18)
C3—C4—N4—Cu1	4.5 (3)	Cu4—N9—O9—Pr1	−13.2 (3)
N3—Cu1—N4—C4	0.8 (2)	N1—Cu5—O9—N9	−164.19 (17)
O2—Cu1—N4—C4	178.7 (2)	O10—Cu5—O9—N9	1.36 (16)
O6—C5—N5—O5	1.1 (4)	O18—Cu5—O9—N9	93.49 (16)
C6—C5—N5—O5	178.5 (2)	N1—Cu5—O9—Pr1	20.58 (13)
O6—C5—N5—Cu2	−173.4 (2)	O10—Cu5—O9—Pr1	−173.86 (13)
C6—C5—N5—Cu2	4.1 (3)	O18—Cu5—O9—Pr1	−81.74 (12)
O3—Cu2—N5—C5	165.1 (2)	O1—Pr1—O9—N9	168.0 (2)
N6—Cu2—N5—C5	−10.4 (2)	O3—Pr1—O9—N9	177.37 (16)
O19—Cu2—N5—C5	−98.8 (3)	O7—Pr1—O9—N9	17.74 (18)
O3—Cu2—N5—O5	−8.6 (2)	O5—Pr1—O9—N9	16.1 (2)
N6—Cu2—N5—O5	175.9 (2)	O15—Pr1—O9—N9	96.90 (19)
O19—Cu2—N5—O5	87.5 (2)	O11—Pr1—O9—N9	−114.41 (18)
C5—C6—N6—Cu2	−14.9 (3)	O12—Pr1—O9—N9	−59.09 (18)
N5—Cu2—N6—C6	13.69 (19)	S1—Pr1—O9—N9	−87.25 (18)
O4—Cu2—N6—C6	−161.52 (18)	O1—Pr1—O9—Cu5	−17.46 (11)
O19—Cu2—N6—C6	105.2 (2)	O3—Pr1—O9—Cu5	−8.1 (2)
O8—C7—N7—O7	−0.3 (4)	O7—Pr1—O9—Cu5	−167.76 (14)
C8—C7—N7—O7	−179.2 (2)	O5—Pr1—O9—Cu5	−169.36 (9)
O8—C7—N7—Cu3	176.0 (2)	O15—Pr1—O9—Cu5	−88.60 (12)
C8—C7—N7—Cu3	−2.8 (3)	O11—Pr1—O9—Cu5	60.09 (12)
O5—Cu3—N7—C7	−160.3 (2)	O12—Pr1—O9—Cu5	115.41 (12)
N8—Cu3—N7—C7	11.7 (2)	S1—Pr1—O9—Cu5	87.25 (11)
O5—Cu3—N7—O7	15.6 (2)	N9—C9—O10—Cu5	3.4 (3)
N8—Cu3—N7—O7	−172.4 (2)	C10—C9—O10—Cu5	−175.8 (2)
C7—C8—N8—Cu3	19.8 (3)	N1—Cu5—O10—C9	66.8 (4)
N7—Cu3—N8—C8	−17.16 (18)	O9—Cu5—O10—C9	−2.42 (18)
O6—Cu3—N8—C8	157.97 (17)	N2—Cu5—O10—C9	173.12 (19)
O10—C9—N9—O9	−2.4 (4)	O18—Cu5—O10—C9	−96.29 (19)
C10—C9—N9—O9	176.9 (2)	O1—Pr1—O11—S1	147.73 (11)
O10—C9—N9—Cu4	−174.4 (2)	O3—Pr1—O11—S1	−136.33 (11)
C10—C9—N9—Cu4	4.8 (3)	O9—Pr1—O11—S1	77.19 (10)
O7—Cu4—N9—C9	168.2 (2)	O7—Pr1—O11—S1	12.76 (14)
N10—Cu4—N9—C9	−0.6 (2)	O5—Pr1—O11—S1	−73.05 (11)
O7—Cu4—N9—O9	−3.0 (2)	O15—Pr1—O11—S1	−174.05 (9)
N10—Cu4—N9—O9	−171.8 (2)	O12—Pr1—O11—S1	−5.05 (8)
C9—C10—N10—Cu4	6.7 (3)	O1—Pr1—O12—S1	−29.31 (13)
N9—Cu4—N10—C10	−3.7 (2)	O3—Pr1—O12—S1	58.15 (11)
O7—Cu4—N10—C10	−61.9 (5)	O9—Pr1—O12—S1	−90.00 (10)
O8—Cu4—N10—C10	−177.10 (19)	O7—Pr1—O12—S1	−160.88 (11)
C1—N1—O1—Cu1	11.2 (3)	O5—Pr1—O12—S1	125.82 (10)
Cu5—N1—O1—Cu1	−160.68 (13)	O15—Pr1—O12—S1	170.31 (12)
C1—N1—O1—Pr1	175.63 (18)	O11—Pr1—O12—S1	5.01 (8)
Cu5—N1—O1—Pr1	3.8 (3)	Pr1—O11—S1—O14	−110.72 (12)
N3—Cu1—O1—N1	165.11 (16)	Pr1—O11—S1—O13	124.90 (10)
O2—Cu1—O1—N1	−12.84 (16)	Pr1—O11—S1—O12	7.21 (12)
N3—Cu1—O1—Pr1	0.69 (13)	Pr1—O12—S1—O14	111.49 (11)
O2—Cu1—O1—Pr1	−177.26 (12)	Pr1—O12—S1—O13	−125.75 (10)
O3—Pr1—O1—N1	−167.21 (19)	Pr1—O12—S1—O11	−7.19 (12)
O9—Pr1—O1—N1	7.18 (17)	O1—Pr1—S1—O14	62.79 (12)
O7—Pr1—O1—N1	45.6 (2)	O3—Pr1—S1—O14	137.87 (11)
O5—Pr1—O1—N1	161.14 (16)	O9—Pr1—S1—O14	−6.57 (11)
O15—Pr1—O1—N1	112.63 (19)	O7—Pr1—S1—O14	−74.80 (11)
O11—Pr1—O1—N1	−87.61 (18)	O5—Pr1—S1—O14	−149.62 (11)
O12—Pr1—O1—N1	−59.3 (2)	O11—Pr1—S1—O14	95.14 (15)
S1—Pr1—O1—N1	−72.86 (18)	O12—Pr1—S1—O14	−93.74 (14)
O3—Pr1—O1—Cu1	−5.42 (11)	O1—Pr1—S1—O13	−118.80 (12)
O9—Pr1—O1—Cu1	168.97 (13)	O3—Pr1—S1—O13	−43.73 (12)
O7—Pr1—O1—Cu1	−152.64 (10)	O9—Pr1—S1—O13	171.84 (12)
O5—Pr1—O1—Cu1	−37.07 (17)	O7—Pr1—S1—O13	103.60 (12)
O15—Pr1—O1—Cu1	−85.59 (12)	O5—Pr1—S1—O13	28.78 (12)
O11—Pr1—O1—Cu1	74.18 (12)	O11—Pr1—S1—O13	−86.45 (15)
O12—Pr1—O1—Cu1	102.53 (12)	O12—Pr1—S1—O13	84.66 (14)
S1—Pr1—O1—Cu1	88.93 (11)	O1—Pr1—S1—O11	−32.35 (11)
N1—C1—O2—Cu1	−10.2 (3)	O3—Pr1—S1—O11	42.72 (11)
C2—C1—O2—Cu1	170.4 (2)	O9—Pr1—S1—O11	−101.71 (11)
O1—Cu1—O2—C1	12.43 (17)	O7—Pr1—S1—O11	−169.95 (11)
N4—Cu1—O2—C1	−166.52 (18)	O5—Pr1—S1—O11	115.23 (11)
C3—N3—O3—Cu2	−5.7 (3)	O12—Pr1—S1—O11	171.11 (14)
Cu1—N3—O3—Cu2	158.94 (14)	O1—Pr1—S1—O12	156.54 (10)
C3—N3—O3—Pr1	178.97 (19)	O3—Pr1—S1—O12	−128.39 (10)
Cu1—N3—O3—Pr1	−16.4 (3)	O9—Pr1—S1—O12	87.18 (11)
N5—Cu2—O3—N3	−167.95 (18)	O7—Pr1—S1—O12	18.94 (11)
O4—Cu2—O3—N3	7.81 (17)	O5—Pr1—S1—O12	−55.88 (11)
O19—Cu2—O3—N3	100.7 (2)	O11—Pr1—S1—O12	−171.11 (14)
N5—Cu2—O3—Pr1	6.94 (14)	O27^i—O26—S2—O28^i	−123.3 (3)
O4—Cu2—O3—Pr1	−177.30 (14)	O25^i—O26—S2—O28^i	119.4 (3)
O19—Cu2—O3—Pr1	−84.4 (2)	O28^i—O26—S2—O28	180.0
O1—Pr1—O3—N3	11.36 (18)	O27^i—O26—S2—O28	56.7 (3)
O9—Pr1—O3—N3	2.2 (3)	O25^i—O26—S2—O28	−60.6 (3)
O7—Pr1—O3—N3	150.02 (16)	O28^i—O26—S2—O27	−56.7 (3)
O5—Pr1—O3—N3	170.4 (2)	O27^i—O26—S2—O27	180.002 (2)
O15—Pr1—O3—N3	89.91 (19)	O25^i—O26—S2—O27	62.7 (3)
O11—Pr1—O3—N3	−70.19 (18)	O28^i—O26—S2—O27^i	123.3 (3)
O12—Pr1—O3—N3	−112.87 (18)	O25^i—O26—S2—O27^i	−117.3 (3)
S1—Pr1—O3—N3	−89.14 (18)	O28^i—O26—S2—O25^i	−119.4 (3)
O1—Pr1—O3—Cu2	−163.00 (15)	O27^i—O26—S2—O25^i	117.3 (3)
O9—Pr1—O3—Cu2	−172.19 (10)	O28^i—O26—S2—O25	60.6 (3)
O7—Pr1—O3—Cu2	−24.3 (2)	O27^i—O26—S2—O25	−62.7 (3)
O5—Pr1—O3—Cu2	−4.01 (12)	O25^i—O26—S2—O25	179.999 (1)
O15—Pr1—O3—Cu2	−84.45 (13)	O27^i—O28—S2—O26^i	125.3 (3)
O11—Pr1—O3—Cu2	115.44 (14)	O25^i—O28—S2—O26^i	−121.9 (3)
O12—Pr1—O3—Cu2	72.76 (14)	O26^i—O28—S2—O26	180.0
S1—Pr1—O3—Cu2	96.50 (13)	O27^i—O28—S2—O26	−54.7 (3)
N3—C3—O4—Cu2	8.3 (3)	O25^i—O28—S2—O26	58.1 (3)
C4—C3—O4—Cu2	−171.3 (2)	O26^i—O28—S2—O27	54.7 (3)
O3—Cu2—O4—C3	−8.47 (18)	O27^i—O28—S2—O27	179.999 (2)
N6—Cu2—O4—C3	166.45 (18)	O25^i—O28—S2—O27	−67.2 (3)
O19—Cu2—O4—C3	−104.2 (2)	O26^i—O28—S2—O27^i	−125.3 (3)
C5—N5—O5—Cu3	−10.2 (3)	O25^i—O28—S2—O27^i	112.8 (3)
Cu2—N5—O5—Cu3	163.71 (13)	O26^i—O28—S2—O25^i	121.9 (3)
C5—N5—O5—Pr1	−165.98 (18)	O27^i—O28—S2—O25^i	−112.8 (3)
Cu2—N5—O5—Pr1	7.9 (3)	O26^i—O28—S2—O25	−58.1 (3)
N7—Cu3—O5—N5	−172.86 (16)	O27^i—O28—S2—O25	67.2 (3)
O6—Cu3—O5—N5	11.45 (15)	O25^i—O28—S2—O25	180.0
N7—Cu3—O5—Pr1	−17.27 (12)	O28^i—O27—S2—O26^i	−126.2 (3)
O6—Cu3—O5—Pr1	167.04 (12)	O26^i—O27—S2—O26	180.000 (2)
O1—Pr1—O5—N5	30.1 (2)	O28^i—O27—S2—O26	53.8 (3)
O3—Pr1—O5—N5	−2.09 (17)	O26^i—O27—S2—O28^i	126.2 (3)
O9—Pr1—O5—N5	166.57 (16)	O26^i—O27—S2—O28	−53.8 (3)
O7—Pr1—O5—N5	165.00 (19)	O28^i—O27—S2—O28	180.000 (2)
O15—Pr1—O5—N5	78.19 (18)	O26^i—O27—S2—O25^i	−120.4 (3)
O11—Pr1—O5—N5	−68.74 (18)	O28^i—O27—S2—O25^i	113.4 (3)
O12—Pr1—O5—N5	−118.84 (18)	O26^i—O27—S2—O25	59.6 (3)
S1—Pr1—O5—N5	−95.89 (17)	O28^i—O27—S2—O25	−66.6 (3)
O1—Pr1—O5—Cu3	−122.02 (11)	O28^i—O25—S2—O26^i	123.8 (3)
O3—Pr1—O5—Cu3	−154.16 (13)	O26^i—O25—S2—O26	180.000 (1)
O9—Pr1—O5—Cu3	14.50 (18)	O28^i—O25—S2—O26	−56.2 (3)
O7—Pr1—O5—Cu3	12.93 (10)	O26^i—O25—S2—O28^i	−123.8 (3)
O15—Pr1—O5—Cu3	−73.88 (11)	O26^i—O25—S2—O28	56.2 (3)
O11—Pr1—O5—Cu3	139.19 (10)	O28^i—O25—S2—O28	180.0
O12—Pr1—O5—Cu3	89.09 (11)	O26^i—O25—S2—O27	−58.7 (3)
S1—Pr1—O5—Cu3	112.04 (10)	O28^i—O25—S2—O27	65.1 (3)
N5—C5—O6—Cu3	8.6 (3)	O26^i—O25—S2—O27^i	121.3 (3)
C6—C5—O6—Cu3	−168.7 (2)	O28^i—O25—S2—O27^i	−114.9 (3)
O5—Cu3—O6—C5	−10.85 (18)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O15^ii	0.92	2.03	2.929 (3)	164
N2—H2B···O27	0.92	2.56	3.434 (5)	159
N2—H2B···O28^i	0.92	2.07	2.855 (5)	142
N4—H4B···O2^iii	0.92	2.26	3.124 (3)	156
N4—H4A···O25^iii	0.92	1.98	2.769 (5)	143
N4—H4A···O27^iv	0.92	2.18	3.041 (5)	155
N6—H6A···O13^iv	0.92	2.17	3.082 (3)	174
N6—H6B···O24^v	0.92	2.17	2.951 (4)	142
N8—H8B···O12^v	0.92	2.03	2.942 (3)	169
N8—H8A···O23	0.92	2.15	2.999 (3)	153
N10—H10A···O20^vi	0.92	2.18	2.957 (3)	142
N10—H10B···O22^vii	0.92	2.12	2.908 (3)	144
O15—H15B···O16	0.84 (2)	1.87 (2)	2.706 (3)	174 (4)
O15—H15A···O21	0.82 (2)	1.85 (2)	2.661 (3)	169 (4)
O16—H16A···O17^iv	0.83 (2)	1.94 (2)	2.774 (3)	178 (4)
O16—H16B···O22	0.83 (2)	1.91 (2)	2.720 (3)	169 (4)
O17—H17B···O6^v	0.82 (2)	1.91 (2)	2.727 (3)	178 (4)
O17—H17A···O12	0.81 (2)	2.09 (2)	2.874 (3)	162 (4)
O18—H18B···O14	0.82 (2)	1.91 (2)	2.731 (3)	176 (4)
O18—H18A···O26^i	0.82 (2)	2.08 (2)	2.859 (5)	159 (4)
O18—H18A···O27	0.82 (2)	1.88 (2)	2.638 (5)	153 (4)
O19—H19B···O24^v	0.85 (2)	2.14 (7)	2.878 (6)	146 (11)
O19—H19A···O24^viii	0.84 (2)	1.76 (5)	2.547 (6)	155 (11)
O20—H20B···O11	0.84 (2)	2.13 (2)	2.954 (3)	169 (4)
O20—H20A···O25	0.81 (2)	1.94 (2)	2.723 (5)	162 (4)
O20—H20A···O26^i	0.81 (2)	2.17 (3)	2.897 (5)	150 (4)
O21—H21B···O10^ii	0.84 (2)	1.88 (2)	2.714 (3)	173 (4)
O21—H21A···O18^iv	0.83 (2)	1.94 (2)	2.763 (3)	173 (4)
O22—H22B···O23	0.84 (2)	1.89 (2)	2.694 (3)	162 (4)
O22—H22A···O26^ii	0.84 (2)	2.17 (2)	2.982 (5)	165 (4)
O22—H22A···O28^ix	0.84 (2)	1.97 (3)	2.728 (5)	151 (4)
O23—H23A···O4^vi	0.82 (2)	1.91 (2)	2.725 (3)	173 (4)
O23—H23B···O13^ix	0.82 (2)	2.05 (2)	2.843 (3)	163 (4)
O24—H24B···O8	0.83 (2)	1.97 (2)	2.794 (3)	173 (5)
O24—H24A···O11^vi	0.83 (2)	2.19 (3)	2.969 (3)	156 (5)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) x+1, y+1, z.

(II) hexaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) heptaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)neodymium(III) sulfate hexahydrate

Crystal data

[Cu5Nd(C2H4N2O2)5(SO4)(H2O)6.5]2(SO4)·6H2O	Z = 1
Mr = 2435.08	F(000) = 1204
Triclinic, P1	Dx = 2.345 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.655 (2) Å	Cell parameters from 9941 reflections
b = 11.564 (2) Å	θ = 2.4–31.1°
c = 16.278 (3) Å	µ = 4.71 mm^−1
α = 99.697 (2)°	T = 100 K
β = 91.304 (2)°	Plate, blue
γ = 105.236 (2)°	0.55 × 0.21 × 0.10 mm
V = 1724.2 (6) Å^3

Data collection

Bruker SMART APEX CCD area-detector diffractometer	10271 independent reflections
Radiation source: fine-focus sealed tube	9453 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
ω scans	θmax = 31.4°, θmin = 1.9°
Absorption correction: multi-scan (APEX2; Bruker, 2009)	h = −13→14
Tmin = 0.443, Tmax = 0.746	k = −16→16
30967 measured reflections	l = −22→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.022	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.071	H atoms treated by a mixture of independent and constrained refinement
S = 1.12	w = 1/[σ^2(Fo^2) + (0.0344P)^2 + 1.7538P] where P = (Fo^2 + 2Fc^2)/3
10271 reflections	(Δ/σ)max = 0.001
562 parameters	Δρmax = 1.19 e Å^−3
22 restraints	Δρmin = −1.25 e Å^−3

Special details

Experimental. The structure is isostructural with the Dy analogue (AVP65_10mz125_0m) and was solved by isomorphous replacement. The water molecule of O19 is disordered over two mutually exclusive positions across an inversion centre and was refined as half occupied. The non-coordinated sulfate anion is located on an inversion centre and the O atoms are disordered over two sets of positions with half occupancy.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4399 (2)	0.26056 (19)	0.50431 (13)	0.0099 (4)
C2	0.3584 (3)	0.2935 (2)	0.57893 (14)	0.0127 (4)
H2C	0.3167	0.2200	0.6032	0.015*
H2D	0.4250	0.3544	0.6222	0.015*
C3	0.6797 (2)	0.04173 (19)	0.24966 (14)	0.0107 (4)
C4	0.6930 (3)	−0.0375 (2)	0.31167 (15)	0.0169 (4)
H4C	0.6327	−0.1214	0.2908	0.020*
H4D	0.7942	−0.0404	0.3177	0.020*
C5	0.7919 (2)	0.3491 (2)	0.03182 (13)	0.0106 (4)
C6	0.8897 (3)	0.2710 (2)	−0.00047 (15)	0.0140 (4)
H6C	0.8815	0.2549	−0.0623	0.017*
H6D	0.9908	0.3150	0.0185	0.017*
C7	0.5268 (2)	0.7008 (2)	0.12856 (14)	0.0113 (4)
C8	0.6033 (2)	0.7520 (2)	0.05772 (14)	0.0112 (4)
H8C	0.5343	0.7366	0.0086	0.013*
H8D	0.6442	0.8412	0.0745	0.013*
C9	0.2194 (2)	0.5872 (2)	0.38995 (14)	0.0116 (4)
C10	0.1692 (3)	0.6967 (2)	0.38071 (15)	0.0159 (4)
H10C	0.0635	0.6721	0.3689	0.019*
H10D	0.1923	0.7564	0.4337	0.019*
Cu1	0.57191 (3)	0.15242 (2)	0.389110 (17)	0.01102 (6)
Cu2	0.71939 (3)	0.16346 (3)	0.124463 (18)	0.01265 (6)
Cu3	0.68669 (3)	0.53643 (2)	0.079603 (16)	0.00937 (5)
Cu4	0.35168 (3)	0.65017 (2)	0.248100 (17)	0.00943 (5)
Cu5	0.28313 (3)	0.40305 (2)	0.444557 (16)	0.01003 (5)
Nd1	0.482538 (11)	0.356506 (10)	0.242164 (7)	0.00763 (3)
N1	0.4225 (2)	0.31329 (18)	0.44219 (12)	0.0115 (3)
N2	0.2416 (2)	0.34422 (18)	0.55272 (12)	0.0130 (4)
H2A	0.2346	0.4078	0.5933	0.016*
H2B	0.1552	0.2851	0.5464	0.016*
N3	0.6120 (2)	0.12266 (17)	0.27342 (12)	0.0116 (3)
N4	0.6474 (2)	0.00890 (19)	0.39450 (13)	0.0165 (4)
H4A	0.7246	0.0309	0.4335	0.020*
H4B	0.5771	−0.0518	0.4110	0.020*
N5	0.7055 (2)	0.30755 (17)	0.08622 (12)	0.0102 (3)
N6	0.8502 (2)	0.15377 (18)	0.03026 (12)	0.0120 (3)
H6A	0.9320	0.1366	0.0487	0.014*
H6B	0.8043	0.0920	−0.0127	0.014*
N7	0.5586 (2)	0.60555 (17)	0.14631 (12)	0.0107 (3)
N8	0.7209 (2)	0.69291 (18)	0.03560 (12)	0.0117 (3)
H8A	0.8080	0.7447	0.0581	0.014*
H8B	0.7243	0.6773	−0.0215	0.014*
N9	0.2968 (2)	0.55356 (17)	0.33149 (12)	0.0112 (3)
N10	0.2389 (2)	0.75467 (18)	0.31201 (13)	0.0143 (4)
H10A	0.2995	0.8301	0.3338	0.017*
H10B	0.1697	0.7654	0.2765	0.017*
O1	0.49817 (17)	0.28667 (15)	0.37287 (10)	0.0114 (3)
O2	0.51954 (18)	0.18658 (15)	0.50523 (10)	0.0133 (3)
O3	0.60541 (19)	0.19791 (16)	0.21603 (10)	0.0154 (3)
O4	0.73496 (18)	0.02858 (15)	0.17763 (10)	0.0122 (3)
O5	0.61840 (17)	0.38160 (14)	0.11706 (10)	0.0104 (3)
O6	0.80082 (18)	0.45139 (15)	0.00742 (10)	0.0132 (3)
O7	0.48587 (17)	0.55732 (15)	0.21114 (10)	0.0115 (3)
O8	0.43499 (17)	0.75026 (14)	0.16766 (10)	0.0119 (3)
O9	0.34821 (18)	0.45501 (15)	0.34184 (10)	0.0119 (3)
O10	0.18578 (18)	0.53214 (15)	0.45276 (10)	0.0135 (3)
O11	0.28061 (18)	0.16464 (15)	0.21954 (10)	0.0144 (3)
O12	0.26261 (17)	0.31961 (15)	0.14568 (10)	0.0123 (3)
O13	0.13759 (19)	0.10974 (15)	0.08646 (10)	0.0149 (3)
O14	0.05125 (19)	0.21314 (18)	0.20716 (11)	0.0190 (4)
O15	0.73085 (18)	0.46191 (16)	0.30216 (11)	0.0146 (3)
H15A	0.766 (3)	0.417 (3)	0.327 (2)	0.022*
H15B	0.778 (3)	0.489 (3)	0.2653 (17)	0.022*
O16	0.88709 (19)	0.57953 (17)	0.19038 (12)	0.0181 (3)
H16A	0.962 (3)	0.560 (3)	0.177 (2)	0.027*
H16B	0.910 (4)	0.6518 (18)	0.213 (2)	0.027*
O17	0.14426 (19)	0.52374 (16)	0.15303 (10)	0.0140 (3)
H17A	0.160 (3)	0.459 (2)	0.158 (2)	0.021*
H17B	0.162 (4)	0.533 (3)	0.1052 (13)	0.021*
O18	0.07403 (19)	0.25395 (17)	0.37793 (11)	0.0168 (3)
H18A	0.054 (4)	0.190 (2)	0.397 (2)	0.025*
H18B	0.068 (4)	0.246 (3)	0.3274 (11)	0.025*
O19	0.5239 (5)	0.0438 (5)	0.0301 (3)	0.0342 (11)	0.50
H19A	0.455 (7)	−0.010 (6)	0.043 (5)	0.051*	0.50
H19B	0.497 (13)	0.013 (10)	−0.020 (3)	0.051*	0.50
O20	0.3082 (2)	0.02329 (17)	0.35133 (12)	0.0187 (4)
H20A	0.248 (3)	0.027 (3)	0.3853 (18)	0.028*
H20B	0.283 (4)	0.055 (3)	0.3139 (17)	0.028*
O21	0.8261 (2)	0.32873 (19)	0.39707 (11)	0.0217 (4)
H21A	0.907 (2)	0.318 (3)	0.393 (2)	0.033*
H21B	0.822 (4)	0.366 (3)	0.4447 (14)	0.033*
O22	0.9740 (2)	0.8138 (2)	0.27188 (13)	0.0263 (4)
H22A	0.975 (4)	0.857 (3)	0.3182 (15)	0.039*
H22B	0.974 (4)	0.852 (3)	0.2334 (18)	0.039*
O23	0.93805 (19)	0.90924 (16)	0.13508 (11)	0.0157 (3)
H23A	0.874 (2)	0.945 (3)	0.145 (2)	0.024*
H23B	1.006 (2)	0.958 (3)	0.118 (2)	0.024*
O24	0.3396 (3)	0.9422 (2)	0.12447 (13)	0.0391 (6)
H24A	0.332 (5)	0.999 (3)	0.160 (2)	0.059*
H24B	0.365 (5)	0.891 (3)	0.147 (2)	0.059*
O25	0.1622 (4)	0.0340 (4)	0.4924 (2)	0.0213 (8)	0.50
O26	−0.0313 (4)	−0.0171 (3)	0.5820 (2)	0.0189 (7)	0.50
O27	−0.0491 (4)	0.1036 (3)	0.4767 (2)	0.0206 (7)	0.50
O28	−0.0617 (4)	−0.1099 (3)	0.4361 (2)	0.0203 (7)	0.50
S1	0.17757 (6)	0.19877 (5)	0.16412 (3)	0.01094 (10)
S2	0.0000	0.0000	0.5000	0.01276 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0119 (9)	0.0090 (9)	0.0096 (9)	0.0040 (7)	0.0008 (7)	0.0021 (7)
C2	0.0171 (10)	0.0145 (10)	0.0094 (9)	0.0088 (8)	0.0023 (8)	0.0034 (8)
C3	0.0098 (9)	0.0089 (9)	0.0132 (10)	0.0022 (7)	0.0019 (7)	0.0016 (7)
C4	0.0249 (12)	0.0175 (11)	0.0124 (10)	0.0131 (9)	0.0031 (8)	0.0025 (8)
C5	0.0120 (9)	0.0118 (9)	0.0089 (9)	0.0049 (8)	0.0014 (7)	0.0014 (7)
C6	0.0150 (10)	0.0112 (10)	0.0169 (10)	0.0050 (8)	0.0071 (8)	0.0022 (8)
C7	0.0102 (9)	0.0124 (10)	0.0108 (9)	0.0026 (8)	0.0010 (7)	0.0016 (7)
C8	0.0123 (10)	0.0104 (9)	0.0122 (9)	0.0038 (8)	0.0032 (7)	0.0038 (7)
C9	0.0110 (9)	0.0139 (10)	0.0109 (9)	0.0059 (8)	0.0005 (7)	0.0016 (8)
C10	0.0198 (11)	0.0194 (11)	0.0145 (10)	0.0133 (9)	0.0073 (8)	0.0057 (8)
Cu1	0.01569 (13)	0.01220 (12)	0.00896 (12)	0.00908 (10)	0.00307 (9)	0.00361 (9)
Cu2	0.01742 (13)	0.01127 (12)	0.01341 (13)	0.00873 (10)	0.00838 (10)	0.00506 (10)
Cu3	0.01147 (12)	0.00907 (12)	0.00910 (12)	0.00438 (9)	0.00385 (9)	0.00294 (9)
Cu4	0.01086 (12)	0.00959 (12)	0.01009 (12)	0.00557 (9)	0.00308 (9)	0.00323 (9)
Cu5	0.01188 (12)	0.01262 (12)	0.00890 (12)	0.00732 (10)	0.00405 (9)	0.00426 (9)
Nd1	0.00849 (5)	0.00817 (5)	0.00776 (5)	0.00413 (4)	0.00223 (4)	0.00247 (4)
N1	0.0130 (8)	0.0167 (9)	0.0077 (8)	0.0080 (7)	0.0050 (6)	0.0036 (7)
N2	0.0151 (9)	0.0165 (9)	0.0116 (8)	0.0094 (7)	0.0053 (7)	0.0056 (7)
N3	0.0154 (9)	0.0122 (8)	0.0111 (8)	0.0080 (7)	0.0033 (7)	0.0060 (7)
N4	0.0251 (10)	0.0174 (9)	0.0135 (9)	0.0139 (8)	0.0079 (8)	0.0071 (7)
N5	0.0118 (8)	0.0111 (8)	0.0100 (8)	0.0067 (7)	0.0038 (6)	0.0019 (6)
N6	0.0115 (8)	0.0130 (8)	0.0121 (8)	0.0051 (7)	0.0016 (6)	0.0014 (7)
N7	0.0127 (9)	0.0097 (8)	0.0111 (8)	0.0041 (7)	0.0053 (6)	0.0037 (6)
N8	0.0131 (9)	0.0128 (8)	0.0104 (8)	0.0048 (7)	0.0028 (6)	0.0034 (7)
N9	0.0127 (8)	0.0130 (8)	0.0110 (8)	0.0080 (7)	0.0031 (6)	0.0031 (7)
N10	0.0164 (9)	0.0117 (9)	0.0183 (9)	0.0076 (7)	0.0058 (7)	0.0059 (7)
O1	0.0137 (7)	0.0154 (7)	0.0092 (7)	0.0091 (6)	0.0062 (6)	0.0045 (6)
O2	0.0157 (8)	0.0162 (8)	0.0115 (7)	0.0091 (6)	0.0025 (6)	0.0045 (6)
O3	0.0238 (9)	0.0183 (8)	0.0119 (7)	0.0146 (7)	0.0096 (6)	0.0093 (6)
O4	0.0159 (8)	0.0125 (7)	0.0113 (7)	0.0086 (6)	0.0047 (6)	0.0031 (6)
O5	0.0126 (7)	0.0092 (7)	0.0117 (7)	0.0068 (6)	0.0051 (5)	0.0017 (5)
O6	0.0161 (8)	0.0150 (8)	0.0117 (7)	0.0073 (6)	0.0066 (6)	0.0053 (6)
O7	0.0137 (7)	0.0121 (7)	0.0122 (7)	0.0064 (6)	0.0073 (6)	0.0059 (6)
O8	0.0134 (7)	0.0108 (7)	0.0145 (7)	0.0066 (6)	0.0048 (6)	0.0048 (6)
O9	0.0161 (8)	0.0122 (7)	0.0120 (7)	0.0099 (6)	0.0055 (6)	0.0050 (6)
O10	0.0164 (8)	0.0162 (8)	0.0122 (7)	0.0100 (6)	0.0059 (6)	0.0053 (6)
O11	0.0163 (8)	0.0135 (8)	0.0132 (8)	0.0025 (6)	−0.0020 (6)	0.0044 (6)
O12	0.0136 (7)	0.0119 (7)	0.0113 (7)	0.0026 (6)	0.0003 (6)	0.0029 (6)
O13	0.0181 (8)	0.0132 (8)	0.0111 (7)	0.0023 (6)	−0.0007 (6)	−0.0004 (6)
O14	0.0132 (8)	0.0271 (9)	0.0152 (8)	0.0043 (7)	0.0039 (6)	0.0015 (7)
O15	0.0125 (8)	0.0190 (8)	0.0125 (8)	0.0035 (6)	0.0011 (6)	0.0049 (6)
O16	0.0126 (8)	0.0207 (9)	0.0196 (9)	0.0030 (7)	0.0026 (6)	0.0020 (7)
O17	0.0191 (8)	0.0135 (8)	0.0110 (7)	0.0066 (6)	0.0021 (6)	0.0034 (6)
O18	0.0165 (8)	0.0210 (9)	0.0133 (8)	0.0059 (7)	0.0029 (6)	0.0028 (7)
O19	0.030 (2)	0.039 (3)	0.022 (2)	−0.010 (2)	0.0021 (17)	0.0029 (19)
O20	0.0217 (9)	0.0169 (8)	0.0192 (9)	0.0067 (7)	0.0053 (7)	0.0049 (7)
O21	0.0185 (9)	0.0353 (11)	0.0135 (8)	0.0158 (8)	−0.0005 (7)	−0.0027 (7)
O22	0.0332 (11)	0.0318 (11)	0.0200 (9)	0.0198 (9)	−0.0018 (8)	0.0048 (8)
O23	0.0137 (8)	0.0134 (8)	0.0205 (8)	0.0054 (6)	0.0038 (6)	0.0016 (6)
O24	0.0761 (17)	0.0282 (11)	0.0205 (10)	0.0365 (12)	−0.0183 (11)	−0.0078 (8)
O25	0.0137 (16)	0.034 (2)	0.0200 (17)	0.0070 (15)	0.0018 (13)	0.0135 (15)
O26	0.0237 (18)	0.0185 (17)	0.0138 (16)	0.0036 (14)	0.0048 (13)	0.0041 (13)
O27	0.0235 (18)	0.0162 (17)	0.0253 (19)	0.0090 (14)	0.0035 (14)	0.0063 (14)
O28	0.0282 (19)	0.0103 (15)	0.0170 (17)	−0.0018 (14)	−0.0001 (14)	−0.0016 (13)
S1	0.0107 (2)	0.0124 (2)	0.0092 (2)	0.00217 (18)	0.00075 (17)	0.00213 (18)
S2	0.0124 (3)	0.0107 (3)	0.0147 (3)	0.0036 (3)	−0.0024 (3)	0.0010 (3)

Geometric parameters (Å, º)

C1—O2	1.294 (3)	Nd1—O12	2.5108 (17)
C1—N1	1.295 (3)	Nd1—S1	3.1365 (7)
C1—C2	1.511 (3)	N1—O1	1.393 (2)
C2—N2	1.486 (3)	N2—H2A	0.9200
C2—H2C	0.9900	N2—H2B	0.9200
C2—H2D	0.9900	N3—O3	1.391 (2)
C3—N3	1.290 (3)	N4—H4A	0.9200
C3—O4	1.302 (3)	N4—H4B	0.9200
C3—C4	1.497 (3)	N5—O5	1.395 (2)
C4—N4	1.485 (3)	N6—H6A	0.9200
C4—H4C	0.9900	N6—H6B	0.9200
C4—H4D	0.9900	N7—O7	1.394 (2)
C5—O6	1.292 (3)	N8—H8A	0.9200
C5—N5	1.295 (3)	N8—H8B	0.9200
C5—C6	1.515 (3)	N9—O9	1.390 (2)
C6—N6	1.482 (3)	N10—H10A	0.9200
C6—H6C	0.9900	N10—H10B	0.9200
C6—H6D	0.9900	O11—S1	1.4983 (17)
C7—N7	1.293 (3)	O12—S1	1.5055 (17)
C7—O8	1.299 (3)	O13—S1	1.4620 (17)
C7—C8	1.505 (3)	O14—S1	1.4534 (18)
C8—N8	1.493 (3)	O15—H15A	0.836 (18)
C8—H8C	0.9900	O15—H15B	0.817 (18)
C8—H8D	0.9900	O16—H16A	0.835 (18)
C9—N9	1.294 (3)	O16—H16B	0.825 (18)
C9—O10	1.297 (3)	O17—H17A	0.818 (18)
C9—C10	1.498 (3)	O17—H17B	0.819 (18)
C10—N10	1.484 (3)	O18—H18A	0.826 (18)
C10—H10C	0.9900	O18—H18B	0.810 (18)
C10—H10D	0.9900	O19—H19A	0.84 (2)
Cu1—O1	1.9229 (16)	O19—H19B	0.84 (2)
Cu1—N3	1.9234 (19)	O20—H20A	0.816 (18)
Cu1—O2	1.9702 (17)	O20—H20B	0.823 (18)
Cu1—N4	1.994 (2)	O21—H21A	0.821 (18)
Cu2—N5	1.9091 (19)	O21—H21B	0.829 (18)
Cu2—O3	1.9226 (16)	O22—H22A	0.832 (18)
Cu2—O4	1.9433 (16)	O22—H22B	0.824 (18)
Cu2—N6	2.0156 (19)	O23—H23A	0.833 (17)
Cu2—O19	2.369 (4)	O23—H23B	0.837 (17)
Cu3—N7	1.9072 (19)	O24—H24A	0.821 (18)
Cu3—O5	1.9437 (16)	O24—H24B	0.827 (18)
Cu3—O6	1.9497 (16)	O25—S2	1.524 (4)
Cu3—N8	2.007 (2)	O25—O26^i	1.679 (5)
Cu4—N9	1.898 (2)	O25—O28^i	1.795 (6)
Cu4—O7	1.9346 (16)	O26—S2	1.409 (4)
Cu4—O8	1.9417 (17)	O26—O28^i	1.585 (5)
Cu4—N10	2.0118 (19)	O26—O27^i	1.623 (5)
Cu5—N1	1.9008 (19)	O26—O25^i	1.679 (5)
Cu5—O9	1.9337 (16)	O27—S2	1.500 (4)
Cu5—O10	1.9509 (16)	O27—O26^i	1.623 (5)
Cu5—N2	2.004 (2)	O27—O28^i	1.739 (5)
Cu5—O18	2.3803 (19)	O28—S2	1.477 (3)
Nd1—O1	2.4145 (16)	O28—O26^i	1.585 (5)
Nd1—O3	2.4199 (16)	O28—O27^i	1.739 (5)
Nd1—O9	2.4212 (16)	O28—O25^i	1.795 (6)
Nd1—O7	2.4507 (16)	S2—O26^i	1.409 (4)
Nd1—O5	2.4642 (16)	S2—O28^i	1.477 (3)
Nd1—O15	2.4787 (18)	S2—O27^i	1.500 (4)
Nd1—O11	2.5056 (17)	S2—O25^i	1.524 (4)
O2—C1—N1	124.8 (2)	C3—N3—Cu1	118.13 (15)
O2—C1—C2	121.21 (19)	O3—N3—Cu1	125.89 (14)
N1—C1—C2	113.97 (19)	C4—N4—Cu1	110.55 (14)
N2—C2—C1	109.70 (18)	C4—N4—H4A	109.5
N2—C2—H2C	109.7	Cu1—N4—H4A	109.5
C1—C2—H2C	109.7	C4—N4—H4B	109.5
N2—C2—H2D	109.7	Cu1—N4—H4B	109.5
C1—C2—H2D	109.7	H4A—N4—H4B	108.1
H2C—C2—H2D	108.2	C5—N5—O5	114.73 (18)
N3—C3—O4	123.6 (2)	C5—N5—Cu2	119.04 (15)
N3—C3—C4	115.3 (2)	O5—N5—Cu2	125.96 (14)
O4—C3—C4	121.07 (19)	C6—N6—Cu2	110.10 (14)
N4—C4—C3	111.42 (19)	C6—N6—H6A	109.6
N4—C4—H4C	109.3	Cu2—N6—H6A	109.6
C3—C4—H4C	109.3	C6—N6—H6B	109.6
N4—C4—H4D	109.3	Cu2—N6—H6B	109.6
C3—C4—H4D	109.3	H6A—N6—H6B	108.2
H4C—C4—H4D	108.0	C7—N7—O7	115.15 (18)
O6—C5—N5	124.1 (2)	C7—N7—Cu3	119.27 (16)
O6—C5—C6	120.7 (2)	O7—N7—Cu3	125.43 (13)
N5—C5—C6	115.15 (19)	C8—N8—Cu3	110.20 (14)
N6—C6—C5	110.56 (18)	C8—N8—H8A	109.6
N6—C6—H6C	109.5	Cu3—N8—H8A	109.6
C5—C6—H6C	109.5	C8—N8—H8B	109.6
N6—C6—H6D	109.5	Cu3—N8—H8B	109.6
C5—C6—H6D	109.5	H8A—N8—H8B	108.1
H6C—C6—H6D	108.1	C9—N9—O9	115.16 (18)
N7—C7—O8	123.6 (2)	C9—N9—Cu4	119.56 (16)
N7—C7—C8	115.33 (19)	O9—N9—Cu4	124.77 (14)
O8—C7—C8	121.1 (2)	C10—N10—Cu4	110.43 (14)
N8—C8—C7	109.35 (18)	C10—N10—H10A	109.6
N8—C8—H8C	109.8	Cu4—N10—H10A	109.6
C7—C8—H8C	109.8	C10—N10—H10B	109.6
N8—C8—H8D	109.8	Cu4—N10—H10B	109.6
C7—C8—H8D	109.8	H10A—N10—H10B	108.1
H8C—C8—H8D	108.3	N1—O1—Cu1	107.11 (12)
N9—C9—O10	123.9 (2)	N1—O1—Nd1	125.42 (12)
N9—C9—C10	115.2 (2)	Cu1—O1—Nd1	125.46 (7)
O10—C9—C10	120.98 (19)	C1—O2—Cu1	104.86 (13)
N10—C10—C9	111.03 (18)	N3—O3—Cu2	109.54 (12)
N10—C10—H10C	109.4	N3—O3—Nd1	121.88 (12)
C9—C10—H10C	109.4	Cu2—O3—Nd1	128.35 (8)
N10—C10—H10D	109.4	C3—O4—Cu2	107.60 (13)
C9—C10—H10D	109.4	N5—O5—Cu3	107.98 (12)
H10C—C10—H10D	108.0	N5—O5—Nd1	123.42 (12)
O1—Cu1—N3	91.32 (7)	Cu3—O5—Nd1	123.61 (7)
O1—Cu1—O2	85.39 (7)	C5—O6—Cu3	107.12 (14)
N3—Cu1—O2	176.09 (7)	N7—O7—Cu4	108.59 (12)
O1—Cu1—N4	174.71 (8)	N7—O7—Nd1	123.52 (12)
N3—Cu1—N4	83.53 (8)	Cu4—O7—Nd1	125.75 (7)
O2—Cu1—N4	99.71 (7)	C7—O8—Cu4	107.80 (14)
N5—Cu2—O3	90.14 (7)	N9—O9—Cu5	108.80 (12)
N5—Cu2—O4	172.73 (7)	N9—O9—Nd1	125.20 (12)
O3—Cu2—O4	84.06 (7)	Cu5—O9—Nd1	125.86 (7)
N5—Cu2—N6	82.93 (8)	C9—O10—Cu5	107.46 (13)
O3—Cu2—N6	171.69 (8)	S1—O11—Nd1	100.08 (8)
O4—Cu2—N6	102.48 (7)	S1—O12—Nd1	99.65 (8)
N5—Cu2—O19	90.84 (15)	Nd1—O15—H15A	112 (2)
O3—Cu2—O19	96.17 (14)	Nd1—O15—H15B	108 (2)
O4—Cu2—O19	94.13 (14)	H15A—O15—H15B	115 (3)
N6—Cu2—O19	88.53 (13)	H16A—O16—H16B	108 (3)
N7—Cu3—O5	91.82 (7)	H17A—O17—H17B	106 (3)
N7—Cu3—O6	174.12 (8)	Cu5—O18—H18A	114 (2)
O5—Cu3—O6	84.25 (7)	Cu5—O18—H18B	114 (3)
N7—Cu3—N8	82.26 (8)	H18A—O18—H18B	115 (3)
O5—Cu3—N8	170.01 (7)	Cu2—O19—H19A	125 (6)
O6—Cu3—N8	100.99 (7)	Cu2—O19—H19B	146 (8)
N9—Cu4—O7	89.81 (7)	H19A—O19—H19B	87 (10)
N9—Cu4—O8	172.08 (8)	H20A—O20—H20B	103 (4)
O7—Cu4—O8	84.65 (7)	H21A—O21—H21B	109 (4)
N9—Cu4—N10	83.18 (8)	H22A—O22—H22B	112 (4)
O7—Cu4—N10	166.70 (8)	H23A—O23—H23B	107 (2)
O8—Cu4—N10	101.09 (8)	H24A—O24—H24B	110 (3)
N1—Cu5—O9	89.87 (7)	S2—O25—O26^i	51.92 (17)
N1—Cu5—O10	164.65 (8)	S2—O25—O28^i	52.08 (17)
O9—Cu5—O10	84.61 (7)	O26^i—O25—O28^i	87.9 (2)
N1—Cu5—N2	82.76 (8)	S2—O26—O28^i	58.76 (19)
O9—Cu5—N2	172.18 (7)	S2—O26—O27^i	58.78 (19)
O10—Cu5—N2	101.86 (7)	O28^i—O26—O27^i	97.7 (3)
N1—Cu5—O18	102.71 (8)	S2—O26—O25^i	58.36 (18)
O9—Cu5—O18	94.05 (7)	O28^i—O26—O25^i	94.9 (3)
O10—Cu5—O18	91.98 (7)	O27^i—O26—O25^i	93.4 (3)
N2—Cu5—O18	90.15 (8)	S2—O27—O26^i	53.47 (17)
O1—Nd1—O3	73.87 (5)	S2—O27—O28^i	53.65 (17)
O1—Nd1—O9	71.18 (5)	O26^i—O27—O28^i	91.7 (3)
O3—Nd1—O9	144.53 (5)	S2—O28—O26^i	54.66 (17)
O1—Nd1—O7	131.64 (5)	S2—O28—O27^i	54.86 (17)
O3—Nd1—O7	142.27 (5)	O26^i—O28—O27^i	93.1 (3)
O9—Nd1—O7	70.18 (5)	S2—O28—O25^i	54.49 (17)
O1—Nd1—O5	139.73 (5)	O26^i—O28—O25^i	90.6 (3)
O3—Nd1—O5	71.51 (5)	O27^i—O28—O25^i	85.7 (2)
O9—Nd1—O5	143.01 (5)	O14—S1—O13	111.28 (11)
O7—Nd1—O5	72.86 (5)	O14—S1—O11	111.17 (11)
O1—Nd1—O15	75.56 (6)	O13—S1—O11	110.87 (10)
O3—Nd1—O15	76.95 (6)	O14—S1—O12	109.91 (11)
O9—Nd1—O15	99.78 (6)	O13—S1—O12	109.81 (10)
O7—Nd1—O15	83.48 (6)	O11—S1—O12	103.54 (10)
O5—Nd1—O15	77.14 (6)	O14—S1—Nd1	118.92 (8)
O1—Nd1—O11	78.28 (6)	O13—S1—Nd1	129.79 (7)
O3—Nd1—O11	76.81 (6)	O11—S1—Nd1	51.86 (7)
O9—Nd1—O11	90.29 (6)	O12—S1—Nd1	52.11 (6)
O7—Nd1—O11	129.28 (6)	O26^i—S2—O26	180.000 (1)
O5—Nd1—O11	112.47 (5)	O26^i—S2—O28^i	113.4 (2)
O15—Nd1—O11	147.06 (6)	O26—S2—O28^i	66.6 (2)
O1—Nd1—O12	127.66 (5)	O26^i—S2—O28	66.6 (2)
O3—Nd1—O12	113.81 (6)	O26—S2—O28	113.4 (2)
O9—Nd1—O12	83.77 (6)	O28^i—S2—O28	180.000 (1)
O7—Nd1—O12	75.04 (5)	O26^i—S2—O27	67.7 (2)
O5—Nd1—O12	85.58 (6)	O26—S2—O27	112.3 (2)
O15—Nd1—O12	155.66 (6)	O28^i—S2—O27	71.5 (2)
O11—Nd1—O12	56.12 (5)	O28—S2—O27	108.5 (2)
O1—Nd1—S1	102.19 (4)	O26^i—S2—O27^i	112.3 (2)
O3—Nd1—S1	97.38 (5)	O26—S2—O27^i	67.7 (2)
O9—Nd1—S1	84.31 (4)	O28^i—S2—O27^i	108.5 (2)
O7—Nd1—S1	101.77 (4)	O28—S2—O27^i	71.5 (2)
O5—Nd1—S1	102.05 (4)	O27—S2—O27^i	179.996 (1)
O15—Nd1—S1	174.26 (4)	O26^i—S2—O25	69.7 (2)
O11—Nd1—S1	28.05 (4)	O26—S2—O25	110.3 (2)
O12—Nd1—S1	28.24 (4)	O28^i—S2—O25	73.4 (2)
C1—N1—O1	115.49 (18)	O28—S2—O25	106.6 (2)
C1—N1—Cu5	119.80 (15)	O27—S2—O25	105.3 (2)
O1—N1—Cu5	124.25 (14)	O27^i—S2—O25	74.7 (2)
C2—N2—Cu5	110.04 (14)	O26^i—S2—O25^i	110.3 (2)
C2—N2—H2A	109.7	O26—S2—O25^i	69.7 (2)
Cu5—N2—H2A	109.7	O28^i—S2—O25^i	106.6 (2)
C2—N2—H2B	109.7	O28—S2—O25^i	73.4 (2)
Cu5—N2—H2B	109.7	O27—S2—O25^i	74.7 (2)
H2A—N2—H2B	108.2	O27^i—S2—O25^i	105.3 (2)
C3—N3—O3	114.26 (18)	O25—S2—O25^i	179.997 (1)
O2—C1—C2—N2	−161.4 (2)	N8—Cu3—O6—C5	177.66 (14)
N1—C1—C2—N2	19.0 (3)	C7—N7—O7—Cu4	3.0 (2)
N3—C3—C4—N4	−10.2 (3)	Cu3—N7—O7—Cu4	−172.57 (11)
O4—C3—C4—N4	169.0 (2)	C7—N7—O7—Nd1	167.20 (15)
O6—C5—C6—N6	−174.78 (19)	Cu3—N7—O7—Nd1	−8.3 (2)
N5—C5—C6—N6	7.4 (3)	N9—Cu4—O7—N7	−178.10 (14)
N7—C7—C8—N8	−11.1 (3)	O8—Cu4—O7—N7	−3.77 (13)
O8—C7—C8—N8	169.34 (19)	N10—Cu4—O7—N7	−120.1 (3)
N9—C9—C10—N10	−8.7 (3)	N9—Cu4—O7—Nd1	18.11 (10)
O10—C9—C10—N10	171.3 (2)	O8—Cu4—O7—Nd1	−167.56 (10)
O2—C1—N1—O1	−0.6 (3)	N10—Cu4—O7—Nd1	76.1 (4)
C2—C1—N1—O1	178.90 (18)	O1—Nd1—O7—N7	139.78 (14)
O2—C1—N1—Cu5	171.95 (17)	O3—Nd1—O7—N7	17.0 (2)
C2—C1—N1—Cu5	−8.5 (3)	O9—Nd1—O7—N7	178.60 (16)
O9—Cu5—N1—C1	174.52 (19)	O5—Nd1—O7—N7	−2.79 (14)
O10—Cu5—N1—C1	105.8 (3)	O15—Nd1—O7—N7	75.72 (15)
N2—Cu5—N1—C1	−2.85 (18)	O11—Nd1—O7—N7	−108.14 (15)
O18—Cu5—N1—C1	−91.35 (18)	O12—Nd1—O7—N7	−92.73 (15)
O9—Cu5—N1—O1	−13.60 (17)	S1—Nd1—O7—N7	−101.93 (14)
O10—Cu5—N1—O1	−82.3 (3)	O1—Nd1—O7—Cu4	−58.72 (12)
N2—Cu5—N1—O1	169.03 (18)	O3—Nd1—O7—Cu4	178.49 (8)
O18—Cu5—N1—O1	80.52 (17)	O9—Nd1—O7—Cu4	−19.91 (9)
C1—C2—N2—Cu5	−20.3 (2)	O5—Nd1—O7—Cu4	158.70 (11)
N1—Cu5—N2—C2	13.28 (15)	O15—Nd1—O7—Cu4	−122.79 (10)
O10—Cu5—N2—C2	−151.87 (15)	O11—Nd1—O7—Cu4	53.36 (12)
O18—Cu5—N2—C2	116.08 (15)	O12—Nd1—O7—Cu4	68.76 (10)
O4—C3—N3—O3	−1.4 (3)	S1—Nd1—O7—Cu4	59.56 (10)
C4—C3—N3—O3	177.82 (19)	N7—C7—O8—Cu4	−3.6 (3)
O4—C3—N3—Cu1	−167.41 (17)	C8—C7—O8—Cu4	175.93 (16)
C4—C3—N3—Cu1	11.9 (3)	O7—Cu4—O8—C7	3.94 (14)
O1—Cu1—N3—C3	173.77 (18)	N10—Cu4—O8—C7	171.82 (14)
N4—Cu1—N3—C3	−7.47 (18)	C9—N9—O9—Cu5	−0.3 (2)
O1—Cu1—N3—O3	9.59 (18)	Cu4—N9—O9—Cu5	171.40 (11)
N4—Cu1—N3—O3	−171.64 (19)	C9—N9—O9—Nd1	175.64 (15)
C3—C4—N4—Cu1	4.2 (3)	Cu4—N9—O9—Nd1	−12.6 (2)
N3—Cu1—N4—C4	1.10 (17)	N1—Cu5—O9—N9	−163.86 (14)
O2—Cu1—N4—C4	178.89 (16)	O10—Cu5—O9—N9	1.79 (13)
O6—C5—N5—O5	0.8 (3)	O18—Cu5—O9—N9	93.40 (13)
C6—C5—N5—O5	178.55 (18)	N1—Cu5—O9—Nd1	20.20 (10)
O6—C5—N5—Cu2	−173.47 (17)	O10—Cu5—O9—Nd1	−174.15 (10)
C6—C5—N5—Cu2	4.2 (3)	O18—Cu5—O9—Nd1	−82.54 (10)
O3—Cu2—N5—C5	165.09 (18)	O1—Nd1—O9—N9	167.61 (17)
N6—Cu2—N5—C5	−10.32 (17)	O3—Nd1—O9—N9	177.82 (14)
O19—Cu2—N5—C5	−98.7 (2)	O7—Nd1—O9—N9	17.27 (15)
O3—Cu2—N5—O5	−8.52 (17)	O5—Nd1—O9—N9	15.1 (2)
N6—Cu2—N5—O5	176.08 (17)	O15—Nd1—O9—N9	96.63 (16)
O19—Cu2—N5—O5	87.7 (2)	O11—Nd1—O9—N9	−114.89 (16)
C5—C6—N6—Cu2	−14.5 (2)	O12—Nd1—O9—N9	−59.04 (15)
N5—Cu2—N6—C6	13.41 (15)	S1—Nd1—O9—N9	−87.44 (15)
O4—Cu2—N6—C6	−161.66 (14)	O1—Nd1—O9—Cu5	−17.10 (9)
O19—Cu2—N6—C6	104.4 (2)	O3—Nd1—O9—Cu5	−6.88 (17)
O8—C7—N7—O7	0.5 (3)	O7—Nd1—O9—Cu5	−167.44 (11)
C8—C7—N7—O7	−179.09 (18)	O5—Nd1—O9—Cu5	−169.64 (7)
O8—C7—N7—Cu3	176.31 (16)	O15—Nd1—O9—Cu5	−88.07 (10)
C8—C7—N7—Cu3	−3.3 (3)	O11—Nd1—O9—Cu5	60.40 (10)
O5—Cu3—N7—C7	−160.13 (18)	O12—Nd1—O9—Cu5	116.25 (10)
N8—Cu3—N7—C7	11.79 (18)	S1—Nd1—O9—Cu5	87.86 (9)
O5—Cu3—N7—O7	15.24 (17)	N9—C9—O10—Cu5	3.9 (3)
N8—Cu3—N7—O7	−172.84 (18)	C10—C9—O10—Cu5	−176.16 (18)
C7—C8—N8—Cu3	19.1 (2)	N1—Cu5—O10—C9	66.5 (3)
N7—Cu3—N8—C8	−16.81 (14)	O9—Cu5—O10—C9	−2.89 (15)
O6—Cu3—N8—C8	158.22 (14)	N2—Cu5—O10—C9	172.66 (15)
O10—C9—N9—O9	−2.5 (3)	O18—Cu5—O10—C9	−96.78 (15)
C10—C9—N9—O9	177.49 (19)	O1—Nd1—O11—S1	147.98 (9)
O10—C9—N9—Cu4	−174.73 (17)	O3—Nd1—O11—S1	−136.08 (9)
C10—C9—N9—Cu4	5.3 (3)	O9—Nd1—O11—S1	77.27 (9)
O7—Cu4—N9—C9	168.24 (18)	O7—Nd1—O11—S1	12.99 (12)
N10—Cu4—N9—C9	−0.43 (18)	O5—Nd1—O11—S1	−72.79 (9)
O7—Cu4—N9—O9	−3.15 (17)	O15—Nd1—O11—S1	−174.06 (8)
N10—Cu4—N9—O9	−171.83 (18)	O12—Nd1—O11—S1	−5.02 (7)
C9—C10—N10—Cu4	7.9 (2)	O1—Nd1—O12—S1	−29.18 (11)
N9—Cu4—N10—C10	−4.43 (16)	O3—Nd1—O12—S1	58.35 (9)
O7—Cu4—N10—C10	−63.1 (4)	O9—Nd1—O12—S1	−89.57 (8)
O8—Cu4—N10—C10	−177.68 (15)	O7—Nd1—O12—S1	−160.67 (9)
C1—N1—O1—Cu1	11.4 (2)	O5—Nd1—O12—S1	125.90 (8)
Cu5—N1—O1—Cu1	−160.76 (11)	O15—Nd1—O12—S1	170.47 (10)
C1—N1—O1—Nd1	175.94 (15)	O11—Nd1—O12—S1	4.99 (7)
Cu5—N1—O1—Nd1	3.7 (2)	Nd1—O11—S1—O14	−110.81 (10)
N3—Cu1—O1—N1	164.84 (14)	Nd1—O11—S1—O13	124.85 (9)
O2—Cu1—O1—N1	−13.05 (13)	Nd1—O11—S1—O12	7.15 (10)
N3—Cu1—O1—Nd1	0.35 (10)	Nd1—O12—S1—O14	111.71 (9)
O2—Cu1—O1—Nd1	−177.54 (10)	Nd1—O12—S1—O13	−125.56 (9)
O3—Nd1—O1—N1	−166.78 (17)	Nd1—O12—S1—O11	−7.13 (10)
O9—Nd1—O1—N1	7.07 (15)	O1—Nd1—S1—O14	63.12 (10)
O7—Nd1—O1—N1	45.60 (18)	O3—Nd1—S1—O14	138.13 (10)
O5—Nd1—O1—N1	161.66 (14)	O9—Nd1—S1—O14	−6.20 (10)
O15—Nd1—O1—N1	112.91 (16)	O7—Nd1—S1—O14	−74.55 (10)
O11—Nd1—O1—N1	−87.29 (16)	O5—Nd1—S1—O14	−149.29 (10)
O12—Nd1—O1—N1	−58.86 (17)	O11—Nd1—S1—O14	95.21 (13)
S1—Nd1—O1—N1	−72.51 (16)	O12—Nd1—S1—O14	−93.62 (12)
O3—Nd1—O1—Cu1	−5.05 (9)	O1—Nd1—S1—O13	−118.38 (10)
O9—Nd1—O1—Cu1	168.80 (11)	O3—Nd1—S1—O13	−43.37 (10)
O7—Nd1—O1—Cu1	−152.67 (8)	O9—Nd1—S1—O13	172.30 (10)
O5—Nd1—O1—Cu1	−36.61 (14)	O7—Nd1—S1—O13	103.94 (10)
O15—Nd1—O1—Cu1	−85.36 (10)	O5—Nd1—S1—O13	29.21 (10)
O11—Nd1—O1—Cu1	74.43 (10)	O11—Nd1—S1—O13	−86.30 (13)
O12—Nd1—O1—Cu1	102.87 (10)	O12—Nd1—S1—O13	84.88 (12)
S1—Nd1—O1—Cu1	89.22 (9)	O1—Nd1—S1—O11	−32.09 (9)
N1—C1—O2—Cu1	−10.2 (3)	O3—Nd1—S1—O11	42.93 (10)
C2—C1—O2—Cu1	170.32 (17)	O9—Nd1—S1—O11	−101.41 (9)
O1—Cu1—O2—C1	12.52 (14)	O7—Nd1—S1—O11	−169.76 (9)
N4—Cu1—O2—C1	−166.04 (15)	O5—Nd1—S1—O11	115.51 (9)
C3—N3—O3—Cu2	−5.9 (2)	O12—Nd1—S1—O11	171.18 (12)
Cu1—N3—O3—Cu2	158.80 (11)	O1—Nd1—S1—O12	156.74 (9)
C3—N3—O3—Nd1	179.10 (15)	O3—Nd1—S1—O12	−128.25 (9)
Cu1—N3—O3—Nd1	−16.2 (2)	O9—Nd1—S1—O12	87.42 (9)
N5—Cu2—O3—N3	−167.85 (15)	O7—Nd1—S1—O12	19.06 (9)
O4—Cu2—O3—N3	7.76 (14)	O5—Nd1—S1—O12	−55.67 (9)
O19—Cu2—O3—N3	101.30 (19)	O11—Nd1—S1—O12	−171.18 (12)
N5—Cu2—O3—Nd1	6.73 (12)	O27^i—O26—S2—O28^i	−123.4 (3)
O4—Cu2—O3—Nd1	−177.65 (12)	O25^i—O26—S2—O28^i	119.4 (3)
O19—Cu2—O3—Nd1	−84.12 (17)	O28^i—O26—S2—O28	180.0
O1—Nd1—O3—N3	11.11 (15)	O27^i—O26—S2—O28	56.6 (3)
O9—Nd1—O3—N3	1.0 (2)	O25^i—O26—S2—O28	−60.6 (3)
O7—Nd1—O3—N3	150.26 (14)	O28^i—O26—S2—O27	−56.6 (3)
O5—Nd1—O3—N3	170.20 (17)	O27^i—O26—S2—O27	179.999 (2)
O15—Nd1—O3—N3	89.61 (16)	O25^i—O26—S2—O27	62.9 (3)
O11—Nd1—O3—N3	−70.30 (16)	O28^i—O26—S2—O27^i	123.4 (3)
O12—Nd1—O3—N3	−113.47 (15)	O25^i—O26—S2—O27^i	−117.1 (3)
S1—Nd1—O3—N3	−89.51 (15)	O28^i—O26—S2—O25	60.6 (3)
O1—Nd1—O3—Cu2	−162.88 (13)	O27^i—O26—S2—O25	−62.9 (3)
O9—Nd1—O3—Cu2	−172.95 (8)	O25^i—O26—S2—O25	179.997 (1)
O7—Nd1—O3—Cu2	−23.73 (17)	O28^i—O26—S2—O25^i	−119.4 (3)
O5—Nd1—O3—Cu2	−3.78 (10)	O27^i—O26—S2—O25^i	117.1 (3)
O15—Nd1—O3—Cu2	−84.38 (11)	O27^i—O28—S2—O26^i	125.5 (3)
O11—Nd1—O3—Cu2	115.72 (12)	O25^i—O28—S2—O26^i	−121.5 (2)
O12—Nd1—O3—Cu2	72.54 (12)	O26^i—O28—S2—O26	180.0
S1—Nd1—O3—Cu2	96.51 (11)	O27^i—O28—S2—O26	−54.5 (3)
N3—C3—O4—Cu2	7.8 (3)	O25^i—O28—S2—O26	58.5 (2)
C4—C3—O4—Cu2	−171.43 (17)	O26^i—O28—S2—O27	54.5 (3)
O3—Cu2—O4—C3	−8.23 (15)	O27^i—O28—S2—O27	180.003 (1)
N6—Cu2—O4—C3	166.57 (14)	O25^i—O28—S2—O27	−67.0 (2)
O19—Cu2—O4—C3	−104.02 (19)	O26^i—O28—S2—O27^i	−125.5 (3)
C5—N5—O5—Cu3	−10.1 (2)	O25^i—O28—S2—O27^i	113.0 (2)
Cu2—N5—O5—Cu3	163.74 (11)	O26^i—O28—S2—O25	−58.5 (2)
C5—N5—O5—Nd1	−165.80 (14)	O27^i—O28—S2—O25	67.0 (2)
Cu2—N5—O5—Nd1	8.0 (2)	O25^i—O28—S2—O25	180.0
N7—Cu3—O5—N5	−172.95 (13)	O26^i—O28—S2—O25^i	121.5 (2)
O6—Cu3—O5—N5	11.45 (13)	O27^i—O28—S2—O25^i	−113.0 (2)
N7—Cu3—O5—Nd1	−17.30 (10)	O28^i—O27—S2—O26^i	−126.2 (2)
O6—Cu3—O5—Nd1	167.09 (10)	O26^i—O27—S2—O26	180.000 (2)
O1—Nd1—O5—N5	29.75 (18)	O28^i—O27—S2—O26	53.8 (2)
O3—Nd1—O5—N5	−2.27 (14)	O26^i—O27—S2—O28^i	126.2 (2)
O9—Nd1—O5—N5	167.28 (13)	O26^i—O27—S2—O28	−53.8 (2)
O7—Nd1—O5—N5	165.11 (15)	O28^i—O27—S2—O28	180.000 (1)
O15—Nd1—O5—N5	78.06 (15)	O26^i—O27—S2—O25	60.0 (2)
O11—Nd1—O5—N5	−68.77 (15)	O28^i—O27—S2—O25	−66.2 (2)
O12—Nd1—O5—N5	−119.19 (15)	O26^i—O27—S2—O25^i	−120.0 (2)
S1—Nd1—O5—N5	−96.12 (14)	O28^i—O27—S2—O25^i	113.8 (2)
O1—Nd1—O5—Cu3	−122.22 (9)	O28^i—O25—S2—O26^i	123.5 (2)
O3—Nd1—O5—Cu3	−154.24 (10)	O26^i—O25—S2—O26	180.000 (1)
O9—Nd1—O5—Cu3	15.31 (15)	O28^i—O25—S2—O26	−56.5 (2)
O7—Nd1—O5—Cu3	13.14 (8)	O26^i—O25—S2—O28^i	−123.5 (2)
O15—Nd1—O5—Cu3	−73.91 (9)	O26^i—O25—S2—O28	56.5 (2)
O11—Nd1—O5—Cu3	139.26 (8)	O28^i—O25—S2—O28	180.0
O12—Nd1—O5—Cu3	88.84 (9)	O26^i—O25—S2—O27	−58.7 (2)
S1—Nd1—O5—Cu3	111.91 (8)	O28^i—O25—S2—O27	64.8 (2)
N5—C5—O6—Cu3	8.9 (3)	O26^i—O25—S2—O27^i	121.3 (2)
C6—C5—O6—Cu3	−168.74 (17)	O28^i—O25—S2—O27^i	−115.2 (2)
O5—Cu3—O6—C5	−10.94 (14)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O15^ii	0.92	2.03	2.924 (3)	163
N2—H2B···O27	0.92	2.55	3.425 (4)	159
N2—H2B···O28^i	0.92	2.06	2.846 (4)	143
N4—H4B···O2^iii	0.92	2.27	3.134 (3)	155
N4—H4A···O25^iii	0.92	1.97	2.766 (4)	143
N4—H4A···O27^iv	0.92	2.18	3.036 (5)	155
N6—H6A···O13^iv	0.92	2.18	3.095 (3)	175
N6—H6B···O24^v	0.92	2.18	2.952 (3)	141
N8—H8B···O12^v	0.92	2.03	2.940 (3)	168
N8—H8A···O23	0.92	2.15	3.000 (3)	153
N10—H10A···O20^vi	0.92	2.18	2.954 (3)	141
N10—H10B···O22^vii	0.92	2.11	2.904 (3)	144
O15—H15B···O16	0.82 (2)	1.90 (2)	2.705 (3)	170 (3)
O15—H15A···O21	0.84 (2)	1.84 (2)	2.662 (3)	169 (3)
O16—H16A···O17^iv	0.84 (2)	1.95 (2)	2.780 (3)	176 (4)
O16—H16B···O22	0.83 (2)	1.89 (2)	2.711 (3)	175 (4)
O17—H17B···O6^v	0.82 (2)	1.91 (2)	2.724 (2)	178 (4)
O17—H17A···O12	0.82 (2)	2.09 (2)	2.867 (2)	159 (3)
O18—H18B···O14	0.81 (2)	1.93 (2)	2.734 (3)	175 (4)
O18—H18A···O26^i	0.83 (2)	2.04 (2)	2.850 (4)	166 (3)
O18—H18A···O27	0.83 (2)	1.91 (3)	2.638 (4)	146 (3)
O19—H19B···O24^v	0.84 (2)	2.37 (11)	2.876 (5)	119 (10)
O19—H19A···O24^viii	0.84 (2)	1.82 (5)	2.557 (5)	146 (9)
O20—H20B···O11	0.82 (2)	2.16 (2)	2.954 (3)	163 (3)
O20—H20A···O25	0.82 (2)	1.95 (2)	2.724 (4)	159 (4)
O20—H20A···O26^i	0.82 (2)	2.15 (2)	2.896 (4)	152 (3)
O21—H21B···O10^ii	0.83 (2)	1.89 (2)	2.713 (3)	173 (4)
O21—H21A···O18^iv	0.82 (2)	1.95 (2)	2.758 (3)	167 (4)
O22—H22B···O23	0.82 (2)	1.89 (2)	2.700 (3)	167 (4)
O22—H22A···O26^ii	0.83 (2)	2.18 (2)	2.977 (4)	160 (4)
O22—H22A···O28^ix	0.83 (2)	1.95 (2)	2.729 (4)	155 (4)
O23—H23A···O4^vi	0.83 (2)	1.89 (2)	2.719 (2)	175 (3)
O23—H23B···O13^ix	0.84 (2)	2.02 (2)	2.838 (2)	164 (3)
O24—H24B···O8	0.83 (2)	2.00 (2)	2.800 (3)	164 (4)
O24—H24A···O11^vi	0.82 (2)	2.18 (2)	2.967 (3)	162 (4)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) x+1, y+1, z.

(III) hexaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) heptaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)samarium(III) sulfate hexahydrate

Crystal data

[Cu5Sm(C2H4N2O2)5(SO4)(H2O)6.5]2(SO4)·6H2O	Z = 1
Mr = 2447.30	F(000) = 1208
Triclinic, P1	Dx = 2.363 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.6359 (15) Å	Cell parameters from 4014 reflections
b = 11.5787 (18) Å	θ = 2.4–31.1°
c = 16.249 (3) Å	µ = 4.92 mm^−1
α = 99.676 (2)°	T = 100 K
β = 91.446 (2)°	Plate, blue
γ = 105.230 (2)°	0.43 × 0.41 × 0.10 mm
V = 1719.8 (5) Å^3

Data collection

Bruker SMART APEX CCD area-detector diffractometer	9817 independent reflections
Radiation source: fine-focus sealed tube	8537 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.040
ω scans	θmax = 31.2°, θmin = 1.3°
Absorption correction: multi-scan (APEX2; Bruker, 2009)	h = −13→13
Tmin = 0.369, Tmax = 0.746	k = −16→16
18813 measured reflections	l = −23→23

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.051	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.137	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0749P)^2 + 8.9348P] where P = (Fo^2 + 2Fc^2)/3
9817 reflections	(Δ/σ)max < 0.001
562 parameters	Δρmax = 5.55 e Å^−3
20 restraints	Δρmin = −2.56 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4415 (5)	0.2618 (4)	0.5046 (3)	0.0129 (8)
C2	0.3601 (6)	0.2942 (5)	0.5788 (3)	0.0179 (9)
H2C	0.3196	0.2210	0.6034	0.022*
H2D	0.4265	0.3558	0.6219	0.022*
C3	0.6792 (5)	0.0417 (5)	0.2495 (3)	0.0162 (9)
C4	0.6925 (6)	−0.0377 (5)	0.3116 (3)	0.0197 (10)
H4C	0.6317	−0.1215	0.2907	0.024*
H4D	0.7938	−0.0409	0.3177	0.024*
C5	0.7914 (5)	0.3492 (5)	0.0318 (3)	0.0159 (9)
C6	0.8880 (6)	0.2714 (5)	−0.0007 (3)	0.0175 (9)
H6C	0.8790	0.2553	−0.0626	0.021*
H6D	0.9896	0.3155	0.0179	0.021*
C7	0.5266 (5)	0.6998 (5)	0.1294 (3)	0.0160 (9)
C8	0.6029 (5)	0.7526 (5)	0.0584 (3)	0.0155 (9)
H8C	0.5335	0.7382	0.0093	0.019*
H8D	0.6445	0.8415	0.0758	0.019*
C9	0.2179 (5)	0.5851 (4)	0.3898 (3)	0.0146 (8)
C10	0.1668 (6)	0.6942 (5)	0.3805 (3)	0.0188 (10)
H10C	0.0611	0.6690	0.3673	0.023*
H10D	0.1881	0.7533	0.4338	0.023*
Cu1	0.57274 (7)	0.15305 (6)	0.38919 (4)	0.01568 (13)
Cu2	0.71845 (7)	0.16353 (6)	0.12444 (4)	0.01716 (13)
Cu3	0.68647 (6)	0.53627 (6)	0.08005 (4)	0.01410 (12)
Cu4	0.35081 (6)	0.64891 (6)	0.24812 (4)	0.01380 (12)
Cu5	0.28185 (6)	0.40134 (6)	0.44390 (4)	0.01467 (12)
Sm1	0.48306 (2)	0.35679 (2)	0.242486 (14)	0.01241 (7)
N1	0.4233 (5)	0.3136 (4)	0.4418 (3)	0.0151 (8)
N2	0.2416 (5)	0.3434 (4)	0.5525 (3)	0.0188 (8)
H2A	0.2340	0.4069	0.5930	0.023*
H2B	0.1555	0.2837	0.5464	0.023*
N3	0.6112 (5)	0.1222 (4)	0.2732 (3)	0.0161 (8)
N4	0.6473 (5)	0.0088 (4)	0.3944 (3)	0.0208 (9)
H4A	0.7247	0.0303	0.4335	0.025*
H4B	0.5765	−0.0516	0.4108	0.025*
N5	0.7048 (4)	0.3074 (4)	0.0862 (3)	0.0155 (8)
N6	0.8493 (5)	0.1533 (4)	0.0303 (3)	0.0161 (8)
H6A	0.9317	0.1367	0.0489	0.019*
H6B	0.8035	0.0914	−0.0126	0.019*
N7	0.5584 (5)	0.6051 (4)	0.1470 (3)	0.0160 (8)
N8	0.7203 (5)	0.6924 (4)	0.0357 (3)	0.0168 (8)
H8A	0.8079	0.7439	0.0578	0.020*
H8B	0.7227	0.6765	−0.0215	0.020*
N9	0.2951 (5)	0.5508 (4)	0.3308 (3)	0.0152 (8)
N10	0.2392 (5)	0.7530 (4)	0.3125 (3)	0.0178 (8)
H10A	0.3007	0.8276	0.3353	0.021*
H10B	0.1711	0.7655	0.2769	0.021*
O1	0.4985 (4)	0.2862 (3)	0.3721 (2)	0.0152 (6)
O2	0.5218 (4)	0.1884 (3)	0.5057 (2)	0.0173 (7)
O3	0.6048 (4)	0.1990 (3)	0.2163 (2)	0.0175 (7)
O4	0.7339 (4)	0.0283 (3)	0.1773 (2)	0.0170 (7)
O5	0.6180 (4)	0.3818 (3)	0.1180 (2)	0.0150 (6)
O6	0.7998 (4)	0.4510 (3)	0.0075 (2)	0.0167 (7)
O7	0.4865 (4)	0.5565 (3)	0.2115 (2)	0.0165 (7)
O8	0.4335 (4)	0.7498 (3)	0.1680 (2)	0.0164 (7)
O9	0.3466 (4)	0.4526 (3)	0.3407 (2)	0.0159 (7)
O10	0.1836 (4)	0.5298 (3)	0.4523 (2)	0.0175 (7)
O11	0.2831 (4)	0.1664 (3)	0.2207 (2)	0.0173 (7)
O12	0.2657 (4)	0.3210 (3)	0.1462 (2)	0.0169 (7)
O13	0.1405 (4)	0.1112 (4)	0.0867 (2)	0.0194 (7)
O14	0.0530 (4)	0.2154 (4)	0.2067 (2)	0.0227 (8)
O15	0.7280 (4)	0.4612 (4)	0.3020 (2)	0.0177 (7)
H15A	0.761 (8)	0.410 (5)	0.321 (4)	0.027*
H15B	0.774 (7)	0.496 (6)	0.266 (4)	0.027*
O16	0.8868 (4)	0.5789 (4)	0.1908 (3)	0.0223 (8)
H16A	0.960 (5)	0.557 (7)	0.178 (5)	0.034*
H16B	0.907 (8)	0.653 (2)	0.211 (5)	0.034*
O17	0.1434 (4)	0.5233 (4)	0.1526 (2)	0.0195 (7)
H17A	0.152 (8)	0.455 (3)	0.158 (5)	0.029*
H17B	0.162 (8)	0.539 (7)	0.105 (2)	0.029*
O18	0.0723 (4)	0.2525 (4)	0.3771 (2)	0.0216 (8)
H18A	0.058 (8)	0.188 (4)	0.396 (5)	0.032*
H18B	0.067 (8)	0.248 (7)	0.3253 (14)	0.032*
O19	0.5235 (11)	0.0426 (13)	0.0296 (6)	0.041 (3)	0.50
H19A	0.453 (14)	0.008 (18)	0.054 (12)	0.061*	0.50
H19B	0.51 (3)	0.03 (2)	−0.023 (2)	0.061*	0.50
O20	0.3090 (4)	0.0237 (4)	0.3515 (3)	0.0233 (8)
H20A	0.244 (6)	0.029 (7)	0.384 (4)	0.035*
H20B	0.293 (9)	0.063 (6)	0.316 (4)	0.035*
O21	0.8257 (4)	0.3302 (4)	0.3969 (2)	0.0240 (8)
H21A	0.904 (5)	0.312 (7)	0.395 (5)	0.036*
H21B	0.834 (9)	0.370 (7)	0.446 (2)	0.036*
O22	0.9740 (5)	0.8143 (4)	0.2715 (3)	0.0288 (9)
H22A	0.986 (9)	0.854 (7)	0.320 (2)	0.043*
H22B	0.980 (9)	0.857 (7)	0.234 (4)	0.043*
O23	0.9397 (4)	0.9105 (4)	0.1346 (2)	0.0201 (7)
H23A	0.884 (7)	0.952 (6)	0.153 (5)	0.030*
H23B	1.005 (6)	0.965 (5)	0.118 (5)	0.030*
O24	0.3398 (7)	0.9428 (5)	0.1252 (3)	0.0427 (14)
H24A	0.354 (11)	1.010 (5)	0.157 (5)	0.064*
H24B	0.362 (11)	0.890 (7)	0.147 (6)	0.064*
O25	0.1628 (8)	0.0368 (9)	0.4930 (5)	0.0271 (18)	0.50
O26	−0.0308 (9)	−0.0156 (8)	0.5823 (4)	0.0225 (16)	0.50
O27	−0.0509 (9)	0.1042 (7)	0.4770 (5)	0.0221 (15)	0.50
O28	−0.0618 (9)	−0.1097 (7)	0.4357 (5)	0.0243 (16)	0.50
S1	0.17983 (13)	0.20032 (11)	0.16443 (7)	0.0151 (2)
S2	0.0000	0.0000	0.5000	0.0170 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.018 (2)	0.0064 (19)	0.013 (2)	0.0015 (16)	0.0050 (15)	0.0011 (15)
C2	0.025 (2)	0.020 (2)	0.013 (2)	0.0106 (19)	0.0070 (17)	0.0071 (17)
C3	0.019 (2)	0.018 (2)	0.014 (2)	0.0079 (18)	0.0045 (16)	0.0054 (17)
C4	0.032 (3)	0.018 (2)	0.017 (2)	0.016 (2)	0.0079 (19)	0.0092 (18)
C5	0.017 (2)	0.018 (2)	0.013 (2)	0.0054 (18)	0.0027 (16)	0.0032 (17)
C6	0.023 (2)	0.013 (2)	0.018 (2)	0.0059 (18)	0.0097 (17)	0.0046 (17)
C7	0.017 (2)	0.016 (2)	0.016 (2)	0.0058 (18)	0.0046 (16)	0.0033 (17)
C8	0.020 (2)	0.017 (2)	0.013 (2)	0.0081 (18)	0.0087 (16)	0.0060 (16)
C9	0.018 (2)	0.013 (2)	0.015 (2)	0.0070 (17)	0.0047 (16)	0.0035 (16)
C10	0.025 (2)	0.021 (3)	0.018 (2)	0.017 (2)	0.0112 (18)	0.0082 (18)
Cu1	0.0225 (3)	0.0163 (3)	0.0127 (3)	0.0105 (2)	0.0067 (2)	0.0058 (2)
Cu2	0.0250 (3)	0.0148 (3)	0.0166 (3)	0.0103 (2)	0.0116 (2)	0.0072 (2)
Cu3	0.0191 (3)	0.0139 (3)	0.0120 (3)	0.0067 (2)	0.0074 (2)	0.0054 (2)
Cu4	0.0185 (3)	0.0131 (3)	0.0130 (3)	0.0074 (2)	0.0067 (2)	0.0056 (2)
Cu5	0.0193 (3)	0.0165 (3)	0.0121 (3)	0.0086 (2)	0.0073 (2)	0.0064 (2)
Sm1	0.01607 (12)	0.01252 (13)	0.01103 (12)	0.00598 (9)	0.00550 (8)	0.00473 (8)
N1	0.0210 (19)	0.015 (2)	0.0125 (18)	0.0073 (15)	0.0070 (14)	0.0054 (14)
N2	0.023 (2)	0.023 (2)	0.0145 (19)	0.0095 (17)	0.0079 (15)	0.0083 (16)
N3	0.024 (2)	0.017 (2)	0.0122 (17)	0.0111 (16)	0.0081 (15)	0.0075 (15)
N4	0.027 (2)	0.022 (2)	0.019 (2)	0.0131 (18)	0.0110 (17)	0.0090 (17)
N5	0.0176 (18)	0.019 (2)	0.0129 (18)	0.0094 (16)	0.0060 (14)	0.0024 (15)
N6	0.0196 (19)	0.016 (2)	0.0158 (18)	0.0082 (16)	0.0057 (14)	0.0047 (15)
N7	0.0187 (19)	0.018 (2)	0.0134 (18)	0.0055 (16)	0.0066 (14)	0.0069 (15)
N8	0.0206 (19)	0.016 (2)	0.0164 (19)	0.0075 (16)	0.0082 (15)	0.0049 (15)
N9	0.0209 (19)	0.015 (2)	0.0140 (18)	0.0098 (16)	0.0060 (14)	0.0055 (14)
N10	0.022 (2)	0.013 (2)	0.022 (2)	0.0074 (16)	0.0096 (16)	0.0048 (15)
O1	0.0196 (16)	0.0177 (17)	0.0121 (15)	0.0088 (13)	0.0084 (12)	0.0064 (12)
O2	0.0226 (17)	0.0206 (19)	0.0123 (15)	0.0105 (14)	0.0053 (12)	0.0046 (13)
O3	0.0295 (18)	0.0149 (17)	0.0157 (16)	0.0144 (15)	0.0131 (14)	0.0092 (13)
O4	0.0223 (17)	0.0166 (18)	0.0158 (16)	0.0099 (14)	0.0081 (13)	0.0046 (13)
O5	0.0182 (15)	0.0152 (17)	0.0152 (15)	0.0092 (13)	0.0095 (12)	0.0043 (12)
O6	0.0239 (17)	0.0159 (17)	0.0147 (16)	0.0096 (14)	0.0096 (13)	0.0070 (13)
O7	0.0197 (16)	0.0135 (17)	0.0196 (17)	0.0054 (13)	0.0093 (13)	0.0096 (13)
O8	0.0200 (16)	0.0147 (17)	0.0180 (16)	0.0078 (13)	0.0080 (13)	0.0067 (13)
O9	0.0225 (17)	0.0145 (17)	0.0160 (16)	0.0103 (14)	0.0071 (13)	0.0082 (13)
O10	0.0244 (17)	0.0201 (19)	0.0141 (16)	0.0122 (14)	0.0090 (13)	0.0083 (13)
O11	0.0227 (17)	0.0131 (17)	0.0164 (16)	0.0038 (13)	0.0013 (13)	0.0056 (13)
O12	0.0199 (16)	0.0173 (18)	0.0151 (16)	0.0046 (14)	0.0036 (12)	0.0072 (13)
O13	0.0239 (18)	0.0201 (19)	0.0139 (16)	0.0051 (14)	0.0036 (13)	0.0032 (13)
O14	0.0211 (17)	0.032 (2)	0.0166 (17)	0.0081 (16)	0.0064 (13)	0.0047 (15)
O15	0.0193 (16)	0.0215 (19)	0.0153 (16)	0.0074 (14)	0.0057 (13)	0.0080 (13)
O16	0.0203 (17)	0.026 (2)	0.0218 (19)	0.0069 (16)	0.0072 (14)	0.0067 (15)
O17	0.0264 (18)	0.022 (2)	0.0142 (16)	0.0102 (15)	0.0058 (13)	0.0070 (14)
O18	0.0255 (18)	0.024 (2)	0.0173 (17)	0.0080 (16)	0.0082 (14)	0.0051 (15)
O19	0.039 (5)	0.053 (7)	0.021 (4)	−0.004 (5)	0.008 (4)	0.005 (4)
O20	0.0275 (19)	0.025 (2)	0.0211 (19)	0.0098 (16)	0.0107 (15)	0.0086 (15)
O21	0.0238 (18)	0.034 (2)	0.0164 (17)	0.0147 (17)	0.0023 (14)	−0.0006 (15)
O22	0.039 (2)	0.030 (2)	0.023 (2)	0.019 (2)	0.0021 (17)	0.0065 (17)
O23	0.0228 (18)	0.0145 (18)	0.0252 (19)	0.0070 (14)	0.0088 (14)	0.0059 (14)
O24	0.079 (4)	0.032 (3)	0.024 (2)	0.035 (3)	−0.016 (2)	−0.0049 (19)
O25	0.018 (3)	0.045 (5)	0.021 (4)	0.007 (3)	0.006 (3)	0.016 (4)
O26	0.033 (4)	0.026 (4)	0.012 (3)	0.006 (3)	0.010 (3)	0.011 (3)
O27	0.032 (4)	0.010 (3)	0.027 (4)	0.007 (3)	0.003 (3)	0.008 (3)
O28	0.030 (4)	0.016 (4)	0.021 (4)	−0.003 (3)	0.001 (3)	0.000 (3)
S1	0.0182 (5)	0.0155 (6)	0.0124 (5)	0.0043 (4)	0.0041 (4)	0.0046 (4)
S2	0.0202 (8)	0.0152 (8)	0.0166 (8)	0.0063 (6)	0.0021 (6)	0.0037 (6)

Geometric parameters (Å, º)

C1—O2	1.293 (6)	Sm1—O11	2.484 (4)
C1—N1	1.298 (6)	Sm1—S1	3.1125 (13)
C1—C2	1.503 (6)	N1—O1	1.396 (5)
C2—N2	1.486 (7)	N2—H2A	0.9200
C2—H2C	0.9900	N2—H2B	0.9200
C2—H2D	0.9900	N3—O3	1.397 (5)
C3—N3	1.288 (6)	N4—H4A	0.9200
C3—O4	1.301 (6)	N4—H4B	0.9200
C3—C4	1.499 (7)	N5—O5	1.399 (5)
C4—N4	1.482 (6)	N6—H6A	0.9200
C4—H4C	0.9900	N6—H6B	0.9200
C4—H4D	0.9900	N7—O7	1.387 (5)
C5—O6	1.288 (6)	N8—H8A	0.9200
C5—N5	1.297 (6)	N8—H8B	0.9200
C5—C6	1.504 (7)	N9—O9	1.386 (5)
C6—N6	1.495 (6)	N10—H10A	0.9200
C6—H6C	0.9900	N10—H10B	0.9200
C6—H6D	0.9900	O11—S1	1.504 (4)
C7—N7	1.287 (6)	O12—S1	1.506 (4)
C7—O8	1.308 (6)	O13—S1	1.461 (4)
C7—C8	1.513 (7)	O14—S1	1.453 (4)
C8—N8	1.500 (6)	O15—H15A	0.84 (2)
C8—H8C	0.9900	O15—H15B	0.84 (2)
C8—H8D	0.9900	O16—H16A	0.83 (2)
C9—O10	1.295 (6)	O16—H16B	0.84 (2)
C9—N9	1.301 (6)	O17—H17A	0.84 (2)
C9—C10	1.500 (7)	O17—H17B	0.84 (2)
C10—N10	1.487 (6)	O18—H18A	0.84 (2)
C10—H10C	0.9900	O18—H18B	0.83 (2)
C10—H10D	0.9900	O19—H19A	0.84 (2)
Cu1—O1	1.918 (4)	O19—H19B	0.84 (2)
Cu1—N3	1.923 (4)	O20—H20A	0.83 (2)
Cu1—O2	1.972 (3)	O20—H20B	0.83 (2)
Cu1—N4	1.998 (5)	O21—H21A	0.83 (2)
Cu2—N5	1.907 (4)	O21—H21B	0.84 (2)
Cu2—O3	1.926 (3)	O22—H22A	0.84 (2)
Cu2—O4	1.944 (4)	O22—H22B	0.84 (2)
Cu2—N6	2.015 (4)	O23—H23A	0.84 (2)
Cu2—O19	2.369 (11)	O23—H23B	0.85 (2)
Cu3—N7	1.907 (4)	O24—H24A	0.83 (2)
Cu3—O5	1.946 (4)	O24—H24B	0.83 (2)
Cu3—O6	1.948 (3)	O25—S2	1.526 (8)
Cu3—N8	2.008 (4)	O25—O26^i	1.684 (11)
Cu4—N9	1.900 (4)	O25—O28^i	1.778 (12)
Cu4—O7	1.942 (4)	O26—S2	1.409 (7)
Cu4—O8	1.942 (4)	O26—O28^i	1.570 (11)
Cu4—N10	2.005 (4)	O26—O27^i	1.653 (11)
Cu5—N1	1.900 (4)	O26—O25^i	1.684 (11)
Cu5—O9	1.935 (3)	O27—S2	1.513 (7)
Cu5—O10	1.951 (4)	O27—O26^i	1.653 (11)
Cu5—N2	2.004 (4)	O27—O28^i	1.746 (11)
Cu5—O18	2.378 (4)	O28—S2	1.478 (8)
Sm1—O1	2.398 (3)	O28—O26^i	1.570 (11)
Sm1—O9	2.405 (3)	O28—O27^i	1.746 (11)
Sm1—O3	2.405 (3)	O28—O25^i	1.778 (12)
Sm1—O7	2.440 (4)	S2—O26^i	1.409 (7)
Sm1—O15	2.441 (4)	S2—O28^i	1.478 (8)
Sm1—O5	2.450 (3)	S2—O27^i	1.513 (7)
Sm1—O12	2.484 (4)	S2—O25^i	1.526 (8)
O2—C1—N1	124.6 (4)	C3—N3—Cu1	118.2 (3)
O2—C1—C2	121.2 (4)	O3—N3—Cu1	125.0 (3)
N1—C1—C2	114.2 (4)	C4—N4—Cu1	110.7 (3)
N2—C2—C1	110.0 (4)	C4—N4—H4A	109.5
N2—C2—H2C	109.7	Cu1—N4—H4A	109.5
C1—C2—H2C	109.7	C4—N4—H4B	109.5
N2—C2—H2D	109.7	Cu1—N4—H4B	109.5
C1—C2—H2D	109.7	H4A—N4—H4B	108.1
H2C—C2—H2D	108.2	C5—N5—O5	114.9 (4)
N3—C3—O4	123.6 (4)	C5—N5—Cu2	119.2 (3)
N3—C3—C4	115.3 (4)	O5—N5—Cu2	125.6 (3)
O4—C3—C4	121.0 (4)	C6—N6—Cu2	109.6 (3)
N4—C4—C3	111.3 (4)	C6—N6—H6A	109.8
N4—C4—H4C	109.4	Cu2—N6—H6A	109.8
C3—C4—H4C	109.4	C6—N6—H6B	109.8
N4—C4—H4D	109.4	Cu2—N6—H6B	109.8
C3—C4—H4D	109.4	H6A—N6—H6B	108.2
H4C—C4—H4D	108.0	C7—N7—O7	115.4 (4)
O6—C5—N5	124.1 (5)	C7—N7—Cu3	119.2 (3)
O6—C5—C6	120.8 (4)	O7—N7—Cu3	125.2 (3)
N5—C5—C6	115.1 (4)	C8—N8—Cu3	110.5 (3)
N6—C6—C5	110.9 (4)	C8—N8—H8A	109.6
N6—C6—H6C	109.5	Cu3—N8—H8A	109.6
C5—C6—H6C	109.5	C8—N8—H8B	109.6
N6—C6—H6D	109.5	Cu3—N8—H8B	109.6
C5—C6—H6D	109.5	H8A—N8—H8B	108.1
H6C—C6—H6D	108.0	C9—N9—O9	115.5 (4)
N7—C7—O8	124.2 (4)	C9—N9—Cu4	119.1 (3)
N7—C7—C8	115.9 (4)	O9—N9—Cu4	124.8 (3)
O8—C7—C8	119.9 (4)	C10—N10—Cu4	110.8 (3)
N8—C8—C7	108.7 (4)	C10—N10—H10A	109.5
N8—C8—H8C	110.0	Cu4—N10—H10A	109.5
C7—C8—H8C	110.0	C10—N10—H10B	109.5
N8—C8—H8D	110.0	Cu4—N10—H10B	109.5
C7—C8—H8D	110.0	H10A—N10—H10B	108.1
H8C—C8—H8D	108.3	N1—O1—Cu1	107.0 (3)
O10—C9—N9	123.8 (4)	N1—O1—Sm1	125.2 (3)
O10—C9—C10	120.8 (4)	Cu1—O1—Sm1	126.08 (16)
N9—C9—C10	115.4 (4)	C1—O2—Cu1	104.9 (3)
N10—C10—C9	110.5 (4)	N3—O3—Cu2	108.8 (3)
N10—C10—H10C	109.6	N3—O3—Sm1	122.4 (3)
C9—C10—H10C	109.6	Cu2—O3—Sm1	128.64 (16)
N10—C10—H10D	109.6	C3—O4—Cu2	107.4 (3)
C9—C10—H10D	109.6	N5—O5—Cu3	107.7 (3)
H10C—C10—H10D	108.1	N5—O5—Sm1	123.8 (3)
O1—Cu1—N3	91.07 (16)	Cu3—O5—Sm1	123.84 (16)
O1—Cu1—O2	85.58 (15)	C5—O6—Cu3	107.3 (3)
N3—Cu1—O2	176.05 (17)	N7—O7—Cu4	108.2 (3)
O1—Cu1—N4	174.17 (17)	N7—O7—Sm1	124.0 (3)
N3—Cu1—N4	83.37 (18)	Cu4—O7—Sm1	125.61 (16)
O2—Cu1—N4	99.91 (17)	C7—O8—Cu4	106.9 (3)
N5—Cu2—O3	89.88 (16)	N9—O9—Cu5	108.3 (3)
N5—Cu2—O4	172.93 (16)	N9—O9—Sm1	125.5 (3)
O3—Cu2—O4	84.47 (14)	Cu5—O9—Sm1	126.12 (16)
N5—Cu2—N6	83.09 (17)	C9—O10—Cu5	107.1 (3)
O3—Cu2—N6	171.50 (17)	S1—O11—Sm1	99.69 (18)
O4—Cu2—N6	102.17 (16)	S1—O12—Sm1	99.63 (17)
N5—Cu2—O19	91.3 (4)	Sm1—O15—H15A	107 (5)
O3—Cu2—O19	96.7 (3)	Sm1—O15—H15B	109 (5)
O4—Cu2—O19	93.6 (4)	H15A—O15—H15B	117 (7)
N6—Cu2—O19	88.3 (3)	H16A—O16—H16B	112 (8)
N7—Cu3—O5	91.55 (16)	H17A—O17—H17B	112 (7)
N7—Cu3—O6	173.90 (18)	Cu5—O18—H18A	112 (5)
O5—Cu3—O6	84.36 (14)	Cu5—O18—H18B	112 (6)
N7—Cu3—N8	82.38 (17)	H18A—O18—H18B	118 (8)
O5—Cu3—N8	169.90 (16)	Cu2—O19—H19A	113 (10)
O6—Cu3—N8	101.00 (16)	Cu2—O19—H19B	134 (10)
N9—Cu4—O7	89.57 (16)	H19A—O19—H19B	114 (10)
N9—Cu4—O8	172.51 (17)	H20A—O20—H20B	102 (8)
O7—Cu4—O8	85.02 (15)	H21A—O21—H21B	101 (8)
N9—Cu4—N10	83.33 (18)	H22A—O22—H22B	114 (8)
O7—Cu4—N10	166.05 (18)	H23A—O23—H23B	100 (7)
O8—Cu4—N10	100.84 (16)	H24A—O24—H24B	114 (10)
N1—Cu5—O9	89.44 (16)	S2—O25—O26^i	51.8 (3)
N1—Cu5—O10	164.17 (18)	S2—O25—O28^i	52.5 (4)
O9—Cu5—O10	85.00 (14)	O26^i—O25—O28^i	88.8 (5)
N1—Cu5—N2	82.98 (17)	S2—O26—O28^i	59.2 (4)
O9—Cu5—N2	171.98 (17)	S2—O26—O27^i	58.6 (4)
O10—Cu5—N2	101.62 (17)	O28^i—O26—O27^i	97.8 (6)
N1—Cu5—O18	103.36 (17)	S2—O26—O25^i	58.4 (4)
O9—Cu5—O18	93.89 (15)	O28^i—O26—O25^i	96.2 (6)
O10—Cu5—O18	91.82 (16)	O27^i—O26—O25^i	92.4 (6)
N2—Cu5—O18	90.46 (17)	S2—O27—O26^i	52.6 (4)
O1—Sm1—O9	71.55 (11)	S2—O27—O28^i	53.3 (4)
O1—Sm1—O3	73.69 (11)	O26^i—O27—O28^i	90.9 (5)
O9—Sm1—O3	144.57 (11)	S2—O28—O26^i	55.0 (4)
O1—Sm1—O7	132.01 (12)	S2—O28—O27^i	55.2 (4)
O9—Sm1—O7	70.48 (11)	O26^i—O28—O27^i	93.2 (5)
O3—Sm1—O7	142.27 (12)	S2—O28—O25^i	55.0 (4)
O1—Sm1—O15	75.82 (12)	O26^i—O28—O25^i	91.7 (6)
O9—Sm1—O15	100.38 (13)	O27^i—O28—O25^i	86.2 (5)
O3—Sm1—O15	77.32 (13)	O14—S1—O13	111.4 (2)
O7—Sm1—O15	83.28 (13)	O14—S1—O11	111.5 (2)
O1—Sm1—O5	139.67 (11)	O13—S1—O11	110.8 (2)
O9—Sm1—O5	143.20 (12)	O14—S1—O12	109.7 (2)
O3—Sm1—O5	71.53 (11)	O13—S1—O12	109.9 (2)
O7—Sm1—O5	72.78 (11)	O11—S1—O12	103.3 (2)
O15—Sm1—O5	77.20 (12)	O14—S1—Sm1	119.05 (17)
O1—Sm1—O12	127.83 (12)	O13—S1—Sm1	129.55 (16)
O9—Sm1—O12	83.29 (12)	O11—S1—Sm1	51.87 (14)
O3—Sm1—O12	113.65 (13)	O12—S1—Sm1	51.88 (14)
O7—Sm1—O12	74.84 (12)	O26^i—S2—O26	180.000 (2)
O15—Sm1—O12	155.24 (12)	O26^i—S2—O28^i	114.2 (5)
O5—Sm1—O12	85.26 (12)	O26—S2—O28^i	65.8 (5)
O1—Sm1—O11	77.62 (12)	O26^i—S2—O28	65.8 (5)
O9—Sm1—O11	89.57 (12)	O26—S2—O28	114.2 (5)
O3—Sm1—O11	76.47 (13)	O28^i—S2—O28	180.000 (1)
O7—Sm1—O11	129.64 (12)	O26^i—S2—O27^i	111.2 (5)
O15—Sm1—O11	146.87 (12)	O26—S2—O27^i	68.8 (5)
O5—Sm1—O11	112.68 (12)	O28^i—S2—O27^i	108.6 (5)
O12—Sm1—O11	56.76 (12)	O28—S2—O27^i	71.4 (5)
O1—Sm1—S1	102.02 (9)	O26^i—S2—O27	68.8 (5)
O9—Sm1—S1	83.62 (9)	O26—S2—O27	111.2 (5)
O3—Sm1—S1	97.17 (10)	O28^i—S2—O27	71.4 (5)
O7—Sm1—S1	101.79 (9)	O28—S2—O27	108.6 (5)
O15—Sm1—S1	174.43 (9)	O27^i—S2—O27	180.0 (5)
O5—Sm1—S1	101.95 (9)	O26^i—S2—O25^i	110.1 (5)
O12—Sm1—S1	28.50 (9)	O26—S2—O25^i	69.9 (5)
O11—Sm1—S1	28.44 (8)	O28^i—S2—O25^i	107.4 (5)
C1—N1—O1	115.6 (4)	O28—S2—O25^i	72.6 (5)
C1—N1—Cu5	119.4 (3)	O27^i—S2—O25^i	104.8 (5)
O1—N1—Cu5	124.5 (3)	O27—S2—O25^i	75.2 (5)
C2—N2—Cu5	109.7 (3)	O26^i—S2—O25	69.9 (5)
C2—N2—H2A	109.7	O26—S2—O25	110.1 (5)
Cu5—N2—H2A	109.7	O28^i—S2—O25	72.6 (5)
C2—N2—H2B	109.7	O28—S2—O25	107.4 (5)
Cu5—N2—H2B	109.7	O27^i—S2—O25	75.2 (5)
H2A—N2—H2B	108.2	O27—S2—O25	104.8 (5)
C3—N3—O3	114.8 (4)	O25^i—S2—O25	180.000 (1)
O2—C1—C2—N2	−160.9 (4)	O5—Cu3—O6—C5	−10.9 (3)
N1—C1—C2—N2	19.1 (6)	N8—Cu3—O6—C5	177.7 (3)
N3—C3—C4—N4	−10.6 (7)	C7—N7—O7—Cu4	3.3 (5)
O4—C3—C4—N4	169.2 (5)	Cu3—N7—O7—Cu4	−172.2 (2)
O6—C5—C6—N6	−174.9 (4)	C7—N7—O7—Sm1	167.2 (3)
N5—C5—C6—N6	6.9 (6)	Cu3—N7—O7—Sm1	−8.3 (5)
N7—C7—C8—N8	−10.5 (6)	N9—Cu4—O7—N7	−178.7 (3)
O8—C7—C8—N8	170.4 (4)	O8—Cu4—O7—N7	−3.9 (3)
O10—C9—C10—N10	170.7 (5)	N10—Cu4—O7—N7	−119.5 (7)
N9—C9—C10—N10	−10.3 (7)	N9—Cu4—O7—Sm1	17.7 (2)
O2—C1—N1—O1	−0.5 (7)	O8—Cu4—O7—Sm1	−167.5 (2)
C2—C1—N1—O1	179.4 (4)	N10—Cu4—O7—Sm1	76.9 (7)
O2—C1—N1—Cu5	171.5 (4)	O1—Sm1—O7—N7	139.9 (3)
C2—C1—N1—Cu5	−8.6 (6)	O9—Sm1—O7—N7	179.4 (4)
O9—Cu5—N1—C1	174.5 (4)	O3—Sm1—O7—N7	16.8 (4)
O10—Cu5—N1—C1	105.2 (6)	O15—Sm1—O7—N7	75.9 (3)
N2—Cu5—N1—C1	−2.8 (4)	O5—Sm1—O7—N7	−2.8 (3)
O18—Cu5—N1—C1	−91.6 (4)	O12—Sm1—O7—N7	−92.4 (3)
O9—Cu5—N1—O1	−14.3 (4)	O11—Sm1—O7—N7	−108.3 (3)
O10—Cu5—N1—O1	−83.6 (7)	S1—Sm1—O7—N7	−101.8 (3)
N2—Cu5—N1—O1	168.4 (4)	O1—Sm1—O7—Cu4	−59.0 (3)
O18—Cu5—N1—O1	79.6 (4)	O9—Sm1—O7—Cu4	−19.5 (2)
C1—C2—N2—Cu5	−20.3 (5)	O3—Sm1—O7—Cu4	177.87 (18)
N1—Cu5—N2—C2	13.2 (4)	O15—Sm1—O7—Cu4	−123.0 (2)
O10—Cu5—N2—C2	−151.4 (3)	O5—Sm1—O7—Cu4	158.3 (2)
O18—Cu5—N2—C2	116.6 (4)	O12—Sm1—O7—Cu4	68.7 (2)
O4—C3—N3—O3	−2.4 (7)	O11—Sm1—O7—Cu4	52.8 (3)
C4—C3—N3—O3	177.4 (4)	S1—Sm1—O7—Cu4	59.3 (2)
O4—C3—N3—Cu1	−167.2 (4)	N7—C7—O8—Cu4	−3.2 (6)
C4—C3—N3—Cu1	12.6 (6)	C8—C7—O8—Cu4	175.9 (4)
O1—Cu1—N3—C3	173.6 (4)	O7—Cu4—O8—C7	3.8 (3)
N4—Cu1—N3—C3	−8.2 (4)	N10—Cu4—O8—C7	171.0 (3)
O1—Cu1—N3—O3	10.5 (4)	C9—N9—O9—Cu5	−0.3 (5)
N4—Cu1—N3—O3	−171.3 (4)	Cu4—N9—O9—Cu5	170.6 (2)
C3—C4—N4—Cu1	4.0 (6)	C9—N9—O9—Sm1	176.9 (3)
N3—Cu1—N4—C4	1.5 (4)	Cu4—N9—O9—Sm1	−12.2 (5)
O2—Cu1—N4—C4	179.3 (4)	N1—Cu5—O9—N9	−163.1 (3)
O6—C5—N5—O5	0.1 (7)	O10—Cu5—O9—N9	2.1 (3)
C6—C5—N5—O5	178.2 (4)	O18—Cu5—O9—N9	93.6 (3)
O6—C5—N5—Cu2	−173.6 (4)	N1—Cu5—O9—Sm1	19.8 (2)
C6—C5—N5—Cu2	4.6 (6)	O10—Cu5—O9—Sm1	−175.1 (2)
O3—Cu2—N5—C5	164.8 (4)	O18—Cu5—O9—Sm1	−83.6 (2)
N6—Cu2—N5—C5	−10.4 (4)	O1—Sm1—O9—N9	167.0 (4)
O19—Cu2—N5—C5	−98.5 (5)	O3—Sm1—O9—N9	178.5 (3)
O3—Cu2—N5—O5	−8.1 (4)	O7—Sm1—O9—N9	16.9 (3)
N6—Cu2—N5—O5	176.7 (4)	O15—Sm1—O9—N9	95.9 (4)
O19—Cu2—N5—O5	88.6 (4)	O5—Sm1—O9—N9	13.4 (5)
C5—C6—N6—Cu2	−13.9 (5)	O12—Sm1—O9—N9	−59.4 (3)
N5—Cu2—N6—C6	13.0 (3)	O11—Sm1—O9—N9	−115.9 (4)
O4—Cu2—N6—C6	−162.2 (3)	S1—Sm1—O9—N9	−88.0 (3)
O19—Cu2—N6—C6	104.5 (5)	O1—Sm1—O9—Cu5	−16.3 (2)
O8—C7—N7—O7	0.0 (7)	O3—Sm1—O9—Cu5	−4.7 (4)
C8—C7—N7—O7	−179.2 (4)	O7—Sm1—O9—Cu5	−166.4 (3)
O8—C7—N7—Cu3	175.7 (4)	O15—Sm1—O9—Cu5	−87.4 (2)
C8—C7—N7—Cu3	−3.4 (6)	O5—Sm1—O9—Cu5	−169.88 (17)
O5—Cu3—N7—C7	−160.3 (4)	O12—Sm1—O9—Cu5	117.4 (2)
N8—Cu3—N7—C7	11.6 (4)	O11—Sm1—O9—Cu5	60.8 (2)
O5—Cu3—N7—O7	15.0 (4)	S1—Sm1—O9—Cu5	88.7 (2)
N8—Cu3—N7—O7	−173.1 (4)	N9—C9—O10—Cu5	4.7 (6)
C7—C8—N8—Cu3	18.3 (5)	C10—C9—O10—Cu5	−176.4 (4)
N7—Cu3—N8—C8	−16.4 (3)	N1—Cu5—O10—C9	66.4 (7)
O5—Cu3—N8—C8	37.1 (11)	O9—Cu5—O10—C9	−3.5 (3)
O6—Cu3—N8—C8	158.5 (3)	N2—Cu5—O10—C9	171.9 (3)
O10—C9—N9—O9	−3.2 (7)	O18—Cu5—O10—C9	−97.2 (3)
C10—C9—N9—O9	177.9 (4)	O1—Sm1—O11—S1	148.5 (2)
O10—C9—N9—Cu4	−174.6 (4)	O9—Sm1—O11—S1	77.33 (18)
C10—C9—N9—Cu4	6.4 (6)	O3—Sm1—O11—S1	−135.5 (2)
O7—Cu4—N9—C9	167.3 (4)	O7—Sm1—O11—S1	13.4 (3)
N10—Cu4—N9—C9	−0.7 (4)	O15—Sm1—O11—S1	−174.12 (17)
O7—Cu4—N9—O9	−3.2 (4)	O5—Sm1—O11—S1	−72.5 (2)
N10—Cu4—N9—O9	−171.2 (4)	O12—Sm1—O11—S1	−4.92 (15)
C9—C10—N10—Cu4	9.3 (5)	O1—Sm1—O12—S1	−28.6 (2)
N9—Cu4—N10—C10	−5.2 (4)	O9—Sm1—O12—S1	−88.99 (18)
O7—Cu4—N10—C10	−65.0 (8)	O3—Sm1—O12—S1	58.6 (2)
O8—Cu4—N10—C10	−178.9 (3)	O7—Sm1—O12—S1	−160.5 (2)
C1—N1—O1—Cu1	11.4 (5)	O15—Sm1—O12—S1	170.8 (2)
Cu5—N1—O1—Cu1	−160.1 (2)	O5—Sm1—O12—S1	126.05 (19)
C1—N1—O1—Sm1	177.0 (3)	O11—Sm1—O12—S1	4.91 (15)
Cu5—N1—O1—Sm1	5.4 (5)	Sm1—O11—S1—O14	−110.7 (2)
N3—Cu1—O1—N1	164.8 (3)	Sm1—O11—S1—O13	124.59 (19)
O2—Cu1—O1—N1	−13.1 (3)	Sm1—O11—S1—O12	7.0 (2)
N3—Cu1—O1—Sm1	−0.5 (2)	Sm1—O12—S1—O14	112.0 (2)
O2—Cu1—O1—Sm1	−178.4 (2)	Sm1—O12—S1—O13	−125.25 (19)
O9—Sm1—O1—N1	5.7 (3)	Sm1—O12—S1—O11	−7.0 (2)
O3—Sm1—O1—N1	−167.3 (4)	O1—Sm1—S1—O14	64.1 (2)
O7—Sm1—O1—N1	45.0 (4)	O9—Sm1—S1—O14	−5.4 (2)
O15—Sm1—O1—N1	112.0 (4)	O3—Sm1—S1—O14	138.9 (2)
O5—Sm1—O1—N1	161.4 (3)	O7—Sm1—S1—O14	−73.9 (2)
O12—Sm1—O1—N1	−59.7 (4)	O5—Sm1—S1—O14	−148.5 (2)
O11—Sm1—O1—N1	−88.0 (3)	O12—Sm1—S1—O14	−93.1 (3)
S1—Sm1—O1—N1	−73.3 (3)	O11—Sm1—S1—O14	95.6 (3)
O9—Sm1—O1—Cu1	168.5 (2)	O1—Sm1—S1—O13	−117.8 (2)
O3—Sm1—O1—Cu1	−4.5 (2)	O9—Sm1—S1—O13	172.6 (2)
O7—Sm1—O1—Cu1	−152.25 (18)	O3—Sm1—S1—O13	−43.1 (2)
O15—Sm1—O1—Cu1	−85.2 (2)	O7—Sm1—S1—O13	104.1 (2)
O5—Sm1—O1—Cu1	−35.8 (3)	O5—Sm1—S1—O13	29.5 (2)
O12—Sm1—O1—Cu1	103.0 (2)	O12—Sm1—S1—O13	84.9 (3)
O11—Sm1—O1—Cu1	74.8 (2)	O11—Sm1—S1—O13	−86.4 (3)
S1—Sm1—O1—Cu1	89.5 (2)	O1—Sm1—S1—O11	−31.4 (2)
N1—C1—O2—Cu1	−10.3 (6)	O9—Sm1—S1—O11	−101.0 (2)
C2—C1—O2—Cu1	169.7 (4)	O3—Sm1—S1—O11	43.3 (2)
O1—Cu1—O2—C1	12.7 (3)	O7—Sm1—S1—O11	−169.5 (2)
N4—Cu1—O2—C1	−165.4 (3)	O5—Sm1—S1—O11	115.9 (2)
C3—N3—O3—Cu2	−5.1 (5)	O12—Sm1—S1—O11	171.3 (3)
Cu1—N3—O3—Cu2	158.5 (3)	O1—Sm1—S1—O12	157.2 (2)
C3—N3—O3—Sm1	179.3 (3)	O9—Sm1—S1—O12	87.7 (2)
Cu1—N3—O3—Sm1	−17.0 (5)	O3—Sm1—S1—O12	−128.0 (2)
N5—Cu2—O3—N3	−168.4 (3)	O7—Sm1—S1—O12	19.2 (2)
O4—Cu2—O3—N3	7.3 (3)	O5—Sm1—S1—O12	−55.4 (2)
O19—Cu2—O3—N3	100.3 (4)	O11—Sm1—S1—O12	−171.3 (3)
N5—Cu2—O3—Sm1	6.8 (3)	O25^i—O26—S2—O26^i	−165 (100)
O4—Cu2—O3—Sm1	−177.5 (3)	O27^i—O26—S2—O28^i	−123.3 (6)
O19—Cu2—O3—Sm1	−84.5 (4)	O25^i—O26—S2—O28^i	120.9 (6)
O1—Sm1—O3—N3	11.4 (3)	O28^i—O26—S2—O28	180.000 (1)
O9—Sm1—O3—N3	−0.1 (5)	O27^i—O26—S2—O28	56.7 (6)
O7—Sm1—O3—N3	150.9 (3)	O25^i—O26—S2—O28	−59.1 (6)
O15—Sm1—O3—N3	90.1 (4)	O28^i—O26—S2—O27^i	123.3 (6)
O5—Sm1—O3—N3	170.6 (4)	O25^i—O26—S2—O27^i	−115.8 (6)
O12—Sm1—O3—N3	−113.4 (3)	O28^i—O26—S2—O27	−56.7 (6)
O11—Sm1—O3—N3	−69.5 (3)	O27^i—O26—S2—O27	180.000 (4)
S1—Sm1—O3—N3	−89.1 (3)	O25^i—O26—S2—O27	64.2 (6)
O1—Sm1—O3—Cu2	−163.2 (3)	O28^i—O26—S2—O25^i	−120.9 (6)
O9—Sm1—O3—Cu2	−174.67 (18)	O27^i—O26—S2—O25^i	115.8 (6)
O7—Sm1—O3—Cu2	−23.7 (4)	O28^i—O26—S2—O25	59.1 (6)
O15—Sm1—O3—Cu2	−84.5 (2)	O27^i—O26—S2—O25	−64.2 (6)
O5—Sm1—O3—Cu2	−4.0 (2)	O25^i—O26—S2—O25	180.000 (3)
O12—Sm1—O3—Cu2	72.0 (3)	O27^i—O28—S2—O26^i	124.7 (5)
O11—Sm1—O3—Cu2	115.9 (3)	O25^i—O28—S2—O26^i	−122.4 (5)
S1—Sm1—O3—Cu2	96.3 (2)	O26^i—O28—S2—O26	180.0
N3—C3—O4—Cu2	8.3 (6)	O27^i—O28—S2—O26	−55.3 (5)
C4—C3—O4—Cu2	−171.5 (4)	O25^i—O28—S2—O26	57.6 (5)
O3—Cu2—O4—C3	−8.3 (3)	O26^i—O28—S2—O27^i	−124.7 (5)
N6—Cu2—O4—C3	166.3 (3)	O25^i—O28—S2—O27^i	112.9 (5)
O19—Cu2—O4—C3	−104.7 (4)	O26^i—O28—S2—O27	55.3 (5)
C5—N5—O5—Cu3	−9.4 (5)	O27^i—O28—S2—O27	180.001 (2)
Cu2—N5—O5—Cu3	163.8 (2)	O25^i—O28—S2—O27	−67.1 (5)
C5—N5—O5—Sm1	−165.8 (3)	O26^i—O28—S2—O25^i	122.4 (5)
Cu2—N5—O5—Sm1	7.4 (5)	O27^i—O28—S2—O25^i	−112.9 (5)
N7—Cu3—O5—N5	−173.5 (3)	O26^i—O28—S2—O25	−57.6 (5)
O6—Cu3—O5—N5	11.0 (3)	O27^i—O28—S2—O25	67.1 (5)
N8—Cu3—O5—N5	133.7 (9)	O25^i—O28—S2—O25	180.000 (1)
N7—Cu3—O5—Sm1	−17.2 (2)	O28^i—O27—S2—O26^i	−126.4 (5)
O6—Cu3—O5—Sm1	167.4 (2)	O26^i—O27—S2—O26	180.000 (4)
N8—Cu3—O5—Sm1	−70.0 (10)	O28^i—O27—S2—O26	53.6 (5)
O1—Sm1—O5—N5	29.8 (4)	O26^i—O27—S2—O28^i	126.4 (5)
O9—Sm1—O5—N5	169.1 (3)	O26^i—O27—S2—O28	−53.6 (5)
O3—Sm1—O5—N5	−1.9 (3)	O28^i—O27—S2—O28	180.000 (3)
O7—Sm1—O5—N5	165.7 (4)	O26^i—O27—S2—O25^i	−119.0 (5)
O15—Sm1—O5—N5	78.9 (3)	O28^i—O27—S2—O25^i	114.6 (5)
O12—Sm1—O5—N5	−118.7 (3)	O26^i—O27—S2—O25	61.0 (5)
O11—Sm1—O5—N5	−67.8 (3)	O28^i—O27—S2—O25	−65.4 (5)
S1—Sm1—O5—N5	−95.5 (3)	O28^i—O25—S2—O26^i	124.9 (5)
O1—Sm1—O5—Cu3	−122.8 (2)	O26^i—O25—S2—O26	180.000 (3)
O9—Sm1—O5—Cu3	16.5 (3)	O28^i—O25—S2—O26	−55.1 (5)
O3—Sm1—O5—Cu3	−154.5 (2)	O26^i—O25—S2—O28^i	−124.9 (5)
O7—Sm1—O5—Cu3	13.05 (18)	O26^i—O25—S2—O28	55.1 (5)
O15—Sm1—O5—Cu3	−73.8 (2)	O28^i—O25—S2—O28	180.000 (2)
O12—Sm1—O5—Cu3	88.6 (2)	O26^i—O25—S2—O27^i	119.7 (5)
O11—Sm1—O5—Cu3	139.52 (18)	O28^i—O25—S2—O27^i	−115.4 (5)
S1—Sm1—O5—Cu3	111.85 (18)	O26^i—O25—S2—O27	−60.3 (5)
N5—C5—O6—Cu3	9.2 (6)	O28^i—O25—S2—O27	64.6 (5)
C6—C5—O6—Cu3	−168.8 (4)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O15^ii	0.92	2.04	2.935 (6)	163
N2—H2B···O27	0.92	2.54	3.420 (9)	159
N2—H2B···O28^i	0.92	2.05	2.843 (9)	143
N4—H4B···O2^iii	0.92	2.29	3.151 (6)	156
N4—H4A···O25^iii	0.92	1.97	2.763 (9)	143
N4—H4A···O27^iv	0.92	2.16	3.016 (10)	155
N6—H6A···O13^iv	0.92	2.20	3.112 (6)	174
N6—H6B···O24^v	0.92	2.18	2.950 (6)	141
N8—H8B···O12^v	0.92	2.04	2.942 (5)	168
N8—H8A···O23	0.92	2.17	3.015 (6)	152
N10—H10A···O20^vi	0.92	2.22	2.980 (6)	139
N10—H10B···O22^vii	0.92	2.12	2.917 (6)	144
O15—H15B···O16	0.84 (2)	1.87 (2)	2.708 (5)	176 (8)
O15—H15A···O21	0.84 (2)	1.85 (3)	2.651 (6)	161 (7)
O16—H16A···O17^iv	0.83 (2)	1.95 (2)	2.774 (5)	173 (8)
O16—H16B···O22	0.84 (2)	1.89 (3)	2.719 (7)	170 (8)
O17—H17B···O6^v	0.84 (2)	1.89 (2)	2.721 (5)	171 (8)
O17—H17A···O12	0.84 (2)	2.11 (4)	2.874 (5)	152 (7)
O18—H18B···O14	0.83 (2)	1.89 (2)	2.725 (5)	173 (8)
O18—H18A···O26^i	0.84 (2)	2.03 (3)	2.857 (9)	168 (8)
O18—H18A···O27	0.84 (2)	1.93 (5)	2.637 (9)	142 (7)
O19—H19A···O24^viii	0.84 (2)	1.74 (6)	2.560 (12)	165 (20)
O19—H19B···O24^v	0.84 (2)	2.25 (19)	2.878 (11)	131 (22)
O20—H20B···O11	0.83 (2)	2.12 (2)	2.946 (5)	172 (8)
O20—H20A···O25	0.83 (2)	1.96 (4)	2.730 (9)	154 (8)
O20—H20A···O26^i	0.83 (2)	2.12 (4)	2.899 (9)	156 (8)
O21—H21B···O10^ii	0.84 (2)	1.89 (3)	2.718 (5)	167 (8)
O21—H21A···O18^iv	0.83 (2)	1.93 (2)	2.762 (6)	172 (8)
O22—H22B···O23	0.84 (2)	1.89 (3)	2.701 (6)	161 (9)
O22—H22A···O26^ii	0.84 (2)	2.17 (4)	2.962 (9)	157 (8)
O22—H22A···O28^ix	0.84 (2)	1.94 (4)	2.725 (9)	155 (9)
O23—H23A···O4^vi	0.84 (2)	1.90 (2)	2.729 (5)	170 (8)
O23—H23B···O13^ix	0.85 (2)	2.00 (2)	2.841 (5)	170 (8)
O24—H24B···O8	0.83 (2)	1.99 (4)	2.801 (6)	164 (10)
O24—H24A···O11^vi	0.83 (2)	2.21 (5)	2.973 (6)	153 (10)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) x+1, y+1, z.

(IV) hexaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) heptaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)europium(III) sulfate hexahydrate

Crystal data

[Cu5Eu(C2H4N2O2)5(SO4)(H2O)6.5]2(SO4)·6H2O	Z = 1
Mr = 2450.68	F(000) = 1210
Triclinic, P1	Dx = 2.364 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.651 (3) Å	Cell parameters from 8154 reflections
b = 11.571 (3) Å	θ = 2.4–30.7°
c = 16.254 (4) Å	µ = 5.03 mm^−1
α = 99.720 (4)°	T = 100 K
β = 91.000 (4)°	Plate, blue
γ = 105.398 (4)°	0.20 × 0.20 × 0.08 mm
V = 1721.1 (8) Å^3

Data collection

Bruker SMART APEX CCD area-detector diffractometer	10033 independent reflections
Radiation source: fine-focus sealed tube	8634 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.027
ω scans	θmax = 31.3°, θmin = 1.3°
Absorption correction: multi-scan (APEX2; Bruker, 2009)	h = −14→13
Tmin = 0.524, Tmax = 0.746	k = −15→16
19621 measured reflections	l = −23→23

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.092	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ^2(Fo^2) + (0.037P)^2 + 6.4552P] where P = (Fo^2 + 2Fc^2)/3
10033 reflections	(Δ/σ)max = 0.001
562 parameters	Δρmax = 2.67 e Å^−3
22 restraints	Δρmin = −1.53 e Å^−3

Special details

Experimental. The structure is isostructural with the Dy analogue (AVP65_10mz125_0m) and was solved by isomorphous replacement. The water molecule of O19 is disordered over two mutually exclusive positions across an inversion centre and was refined as half occupied. The non-coordinated sulfate anion is located on an inversion centre and the O atoms are disordered over two sets of positions with half occupancy.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4443 (4)	0.2625 (4)	0.5051 (2)	0.0137 (7)
C2	0.3620 (5)	0.2936 (4)	0.5797 (3)	0.0174 (8)
H2C	0.3217	0.2199	0.6041	0.021*
H2D	0.4277	0.3553	0.6230	0.021*
C3	0.6807 (4)	0.0428 (4)	0.2492 (3)	0.0130 (7)
C4	0.6937 (5)	−0.0366 (4)	0.3110 (3)	0.0187 (8)
H4C	0.6330	−0.1205	0.2901	0.022*
H4D	0.7949	−0.0397	0.3166	0.022*
C5	0.7893 (4)	0.3482 (4)	0.0308 (2)	0.0153 (7)
C6	0.8857 (5)	0.2704 (4)	−0.0031 (3)	0.0206 (9)
H6C	0.8743	0.2530	−0.0649	0.025*
H6D	0.9875	0.3151	0.0137	0.025*
C7	0.5242 (4)	0.6985 (4)	0.1295 (2)	0.0143 (7)
C8	0.6021 (4)	0.7510 (4)	0.0587 (3)	0.0147 (7)
H8C	0.5333	0.7376	0.0099	0.018*
H8D	0.6446	0.8398	0.0764	0.018*
C9	0.2160 (4)	0.5813 (4)	0.3902 (2)	0.0156 (7)
C10	0.1643 (5)	0.6898 (4)	0.3807 (3)	0.0191 (8)
H10C	0.0590	0.6636	0.3670	0.023*
H10D	0.1834	0.7484	0.4342	0.023*
Cu1	0.57551 (6)	0.15464 (5)	0.38944 (3)	0.01578 (10)
Cu2	0.71814 (6)	0.16383 (5)	0.12380 (3)	0.01656 (11)
Cu3	0.68453 (5)	0.53534 (4)	0.07955 (3)	0.01302 (10)
Cu4	0.34866 (5)	0.64607 (5)	0.24850 (3)	0.01336 (10)
Cu5	0.28415 (5)	0.40054 (5)	0.44508 (3)	0.01379 (10)
Eu1	0.48330 (2)	0.355860 (17)	0.243006 (12)	0.01066 (5)
N1	0.4261 (4)	0.3141 (3)	0.4427 (2)	0.0146 (6)
N2	0.2439 (4)	0.3420 (3)	0.5540 (2)	0.0168 (7)
H2A	0.2359	0.4054	0.5945	0.020*
H2B	0.1581	0.2819	0.5480	0.020*
N3	0.6130 (4)	0.1241 (3)	0.2739 (2)	0.0153 (6)
N4	0.6483 (4)	0.0096 (4)	0.3942 (2)	0.0203 (7)
H4A	0.7252	0.0306	0.4331	0.024*
H4B	0.5769	−0.0508	0.4105	0.024*
N5	0.7032 (4)	0.3071 (3)	0.0857 (2)	0.0139 (6)
N6	0.8489 (4)	0.1539 (3)	0.0293 (2)	0.0171 (7)
H6A	0.9318	0.1387	0.0479	0.021*
H6B	0.8038	0.0908	−0.0131	0.021*
N7	0.5566 (4)	0.6033 (3)	0.1471 (2)	0.0145 (6)
N8	0.7177 (4)	0.6911 (3)	0.0352 (2)	0.0145 (6)
H8A	0.8056	0.7427	0.0565	0.017*
H8B	0.7192	0.6750	−0.0222	0.017*
N9	0.2932 (4)	0.5481 (3)	0.3312 (2)	0.0147 (6)
N10	0.2372 (4)	0.7501 (3)	0.3140 (2)	0.0172 (7)
H10A	0.2988	0.8243	0.3374	0.021*
H10B	0.1698	0.7636	0.2787	0.021*
O1	0.5027 (3)	0.2885 (3)	0.37309 (18)	0.0165 (6)
O2	0.5260 (3)	0.1899 (3)	0.50609 (19)	0.0180 (6)
O3	0.6063 (3)	0.1996 (3)	0.21654 (18)	0.0180 (6)
O4	0.7348 (3)	0.0295 (3)	0.17699 (18)	0.0166 (6)
O5	0.6168 (3)	0.3812 (3)	0.11840 (17)	0.0135 (5)
O6	0.7976 (3)	0.4515 (3)	0.00640 (18)	0.0167 (6)
O7	0.4840 (3)	0.5539 (3)	0.21162 (18)	0.0157 (6)
O8	0.4319 (3)	0.7474 (3)	0.16844 (18)	0.0159 (6)
O9	0.3475 (3)	0.4505 (3)	0.34117 (18)	0.0154 (6)
O10	0.1850 (3)	0.5276 (3)	0.45352 (18)	0.0176 (6)
O11	0.2854 (4)	0.1666 (3)	0.2222 (2)	0.0267 (7)
O12	0.2707 (4)	0.3195 (3)	0.1459 (2)	0.0242 (7)
O13	0.1417 (4)	0.1110 (3)	0.0860 (2)	0.0242 (7)
O14	0.0553 (4)	0.2151 (4)	0.2075 (2)	0.0323 (8)
O15	0.7267 (3)	0.4627 (3)	0.30051 (19)	0.0172 (6)
H15A	0.767 (6)	0.428 (5)	0.331 (3)	0.026*
H15B	0.780 (5)	0.492 (5)	0.265 (3)	0.026*
O16	0.8855 (3)	0.5807 (3)	0.1899 (2)	0.0229 (7)
H16A	0.960 (4)	0.561 (6)	0.176 (4)	0.034*
H16B	0.908 (7)	0.653 (2)	0.214 (4)	0.034*
O17	0.1407 (3)	0.5214 (3)	0.15339 (19)	0.0188 (6)
H17A	0.149 (6)	0.453 (3)	0.156 (4)	0.028*
H17B	0.159 (6)	0.532 (5)	0.1049 (18)	0.028*
O18	0.0732 (3)	0.2529 (3)	0.3784 (2)	0.0224 (6)
H18A	0.048 (7)	0.184 (3)	0.392 (4)	0.034*
H18B	0.076 (7)	0.227 (6)	0.3275 (15)	0.034*
O19	0.5212 (11)	0.0377 (11)	0.0299 (6)	0.047 (2)	0.50
H19A	0.458 (18)	−0.011 (15)	0.051 (11)	0.071*	0.50
H19B	0.53 (3)	0.02 (2)	−0.022 (4)	0.071*	0.50
O20	0.3116 (4)	0.0210 (3)	0.3528 (2)	0.0290 (8)
H20A	0.249 (6)	0.033 (6)	0.385 (3)	0.043*
H20B	0.301 (8)	0.055 (6)	0.313 (3)	0.043*
O21	0.8296 (4)	0.3338 (4)	0.3957 (2)	0.0303 (8)
H21A	0.911 (4)	0.323 (6)	0.389 (4)	0.045*
H21B	0.831 (8)	0.384 (5)	0.439 (3)	0.045*
O22	0.9774 (4)	0.8165 (4)	0.2715 (2)	0.0286 (8)
H22A	0.978 (7)	0.861 (5)	0.319 (2)	0.043*
H22B	0.979 (7)	0.860 (5)	0.235 (3)	0.043*
O23	0.9374 (3)	0.9091 (3)	0.1338 (2)	0.0213 (6)
H23A	0.877 (4)	0.949 (4)	0.148 (4)	0.032*
H23B	1.008 (4)	0.960 (4)	0.119 (4)	0.032*
O24	0.3449 (6)	0.9433 (4)	0.1255 (3)	0.0510 (13)
H24A	0.323 (9)	0.995 (6)	0.162 (3)	0.076*
H24B	0.364 (9)	0.892 (5)	0.151 (4)	0.076*
O25	0.1620 (7)	0.0401 (7)	0.4948 (4)	0.0297 (16)	0.50
O26	−0.0322 (7)	−0.0176 (6)	0.5837 (4)	0.0244 (13)	0.50
O27	−0.0514 (8)	0.1032 (6)	0.4798 (5)	0.0266 (14)	0.50
O28	−0.0586 (7)	−0.1087 (6)	0.4365 (4)	0.0246 (14)	0.50
S1	0.18236 (12)	0.20013 (11)	0.16439 (7)	0.0223 (2)
S2	0.0000	0.0000	0.5000	0.0157 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0131 (17)	0.0136 (17)	0.0161 (18)	0.0047 (14)	0.0019 (13)	0.0051 (14)
C2	0.021 (2)	0.021 (2)	0.0146 (18)	0.0100 (16)	0.0053 (15)	0.0073 (15)
C3	0.0088 (16)	0.0121 (17)	0.0184 (18)	0.0035 (13)	0.0012 (13)	0.0026 (14)
C4	0.023 (2)	0.021 (2)	0.0175 (19)	0.0141 (17)	0.0014 (15)	0.0049 (16)
C5	0.0174 (18)	0.0172 (19)	0.0112 (17)	0.0052 (15)	0.0014 (14)	0.0017 (14)
C6	0.023 (2)	0.017 (2)	0.024 (2)	0.0076 (16)	0.0120 (17)	0.0067 (16)
C7	0.0153 (18)	0.0141 (18)	0.0138 (17)	0.0036 (14)	0.0003 (14)	0.0038 (14)
C8	0.0148 (17)	0.0168 (18)	0.0153 (18)	0.0057 (14)	0.0045 (14)	0.0078 (14)
C9	0.0150 (18)	0.020 (2)	0.0144 (18)	0.0073 (15)	0.0000 (14)	0.0051 (15)
C10	0.020 (2)	0.027 (2)	0.0185 (19)	0.0161 (17)	0.0063 (15)	0.0087 (16)
Cu1	0.0214 (2)	0.0169 (2)	0.0144 (2)	0.0122 (2)	0.00504 (18)	0.00615 (18)
Cu2	0.0210 (3)	0.0149 (2)	0.0181 (2)	0.00969 (19)	0.00956 (19)	0.00615 (19)
Cu3	0.0141 (2)	0.0137 (2)	0.0129 (2)	0.00501 (17)	0.00435 (17)	0.00472 (17)
Cu4	0.0140 (2)	0.0154 (2)	0.0141 (2)	0.00816 (18)	0.00281 (17)	0.00550 (18)
Cu5	0.0149 (2)	0.0166 (2)	0.0137 (2)	0.00849 (18)	0.00533 (17)	0.00604 (18)
Eu1	0.01026 (9)	0.01168 (9)	0.01144 (9)	0.00446 (6)	0.00259 (6)	0.00338 (6)
N1	0.0159 (16)	0.0165 (16)	0.0144 (15)	0.0088 (13)	0.0067 (12)	0.0037 (13)
N2	0.0178 (16)	0.0186 (17)	0.0166 (16)	0.0081 (13)	0.0042 (13)	0.0052 (13)
N3	0.0190 (17)	0.0157 (16)	0.0158 (16)	0.0095 (13)	0.0036 (13)	0.0073 (13)
N4	0.0264 (19)	0.0233 (19)	0.0176 (17)	0.0135 (15)	0.0081 (14)	0.0102 (14)
N5	0.0129 (15)	0.0147 (16)	0.0165 (16)	0.0075 (12)	0.0051 (12)	0.0029 (12)
N6	0.0152 (16)	0.0187 (17)	0.0192 (17)	0.0074 (13)	0.0043 (13)	0.0037 (13)
N7	0.0173 (16)	0.0141 (16)	0.0145 (16)	0.0050 (13)	0.0044 (12)	0.0074 (12)
N8	0.0156 (16)	0.0136 (15)	0.0143 (15)	0.0027 (12)	0.0036 (12)	0.0040 (12)
N9	0.0159 (16)	0.0181 (17)	0.0154 (16)	0.0111 (13)	0.0045 (12)	0.0071 (13)
N10	0.0175 (16)	0.0140 (16)	0.0213 (17)	0.0064 (13)	0.0030 (13)	0.0030 (13)
O1	0.0227 (15)	0.0183 (14)	0.0149 (13)	0.0129 (12)	0.0093 (11)	0.0083 (11)
O2	0.0213 (15)	0.0207 (15)	0.0186 (14)	0.0133 (12)	0.0056 (11)	0.0088 (12)
O3	0.0249 (15)	0.0180 (14)	0.0182 (14)	0.0131 (12)	0.0103 (12)	0.0101 (11)
O4	0.0190 (14)	0.0160 (14)	0.0180 (14)	0.0093 (11)	0.0053 (11)	0.0044 (11)
O5	0.0128 (13)	0.0151 (13)	0.0165 (13)	0.0086 (10)	0.0066 (10)	0.0052 (11)
O6	0.0208 (14)	0.0158 (14)	0.0158 (14)	0.0069 (11)	0.0072 (11)	0.0054 (11)
O7	0.0187 (14)	0.0172 (14)	0.0161 (14)	0.0095 (11)	0.0093 (11)	0.0083 (11)
O8	0.0172 (14)	0.0147 (14)	0.0197 (14)	0.0079 (11)	0.0048 (11)	0.0071 (11)
O9	0.0186 (14)	0.0161 (14)	0.0170 (14)	0.0112 (11)	0.0068 (11)	0.0072 (11)
O10	0.0227 (15)	0.0221 (15)	0.0142 (13)	0.0141 (12)	0.0077 (11)	0.0070 (11)
O11	0.0249 (17)	0.0207 (16)	0.0352 (19)	0.0059 (13)	0.0015 (14)	0.0074 (14)
O12	0.0221 (16)	0.0263 (17)	0.0217 (16)	−0.0002 (13)	−0.0018 (12)	0.0088 (13)
O13	0.0241 (16)	0.0220 (16)	0.0241 (16)	0.0013 (13)	0.0031 (13)	0.0050 (13)
O14	0.0210 (17)	0.045 (2)	0.0278 (18)	0.0059 (15)	0.0030 (14)	0.0037 (16)
O15	0.0136 (13)	0.0237 (16)	0.0144 (14)	0.0039 (11)	0.0023 (10)	0.0056 (11)
O16	0.0164 (15)	0.0271 (17)	0.0237 (16)	0.0033 (13)	0.0045 (12)	0.0041 (13)
O17	0.0240 (15)	0.0201 (15)	0.0139 (14)	0.0068 (12)	0.0021 (11)	0.0064 (12)
O18	0.0183 (15)	0.0222 (16)	0.0270 (17)	0.0067 (13)	0.0013 (13)	0.0036 (13)
O19	0.042 (5)	0.057 (6)	0.032 (4)	−0.003 (4)	−0.004 (4)	0.003 (4)
O20	0.0277 (18)	0.0238 (18)	0.033 (2)	0.0041 (14)	0.0110 (15)	0.0023 (14)
O21	0.0256 (18)	0.050 (2)	0.0211 (17)	0.0248 (17)	−0.0016 (14)	−0.0013 (15)
O22	0.0330 (19)	0.034 (2)	0.0251 (18)	0.0204 (16)	−0.0021 (15)	0.0048 (15)
O23	0.0147 (14)	0.0207 (16)	0.0306 (17)	0.0073 (12)	0.0056 (12)	0.0054 (13)
O24	0.088 (4)	0.040 (3)	0.034 (2)	0.043 (3)	−0.016 (2)	−0.0043 (19)
O25	0.015 (3)	0.048 (5)	0.030 (4)	0.005 (3)	0.002 (3)	0.021 (3)
O26	0.027 (3)	0.028 (3)	0.020 (3)	0.009 (3)	0.005 (3)	0.006 (3)
O27	0.028 (4)	0.020 (3)	0.036 (4)	0.010 (3)	−0.004 (3)	0.012 (3)
O28	0.029 (3)	0.019 (3)	0.023 (3)	0.002 (3)	0.002 (3)	0.003 (3)
S1	0.0201 (5)	0.0238 (5)	0.0228 (5)	0.0046 (4)	0.0009 (4)	0.0062 (4)
S2	0.0137 (6)	0.0156 (6)	0.0183 (7)	0.0051 (5)	−0.0013 (5)	0.0031 (5)

Geometric parameters (Å, º)

C1—N1	1.292 (5)	Eu1—O12	2.467 (3)
C1—O2	1.296 (5)	Eu1—S1	3.1030 (13)
C1—C2	1.508 (6)	N1—O1	1.395 (4)
C2—N2	1.479 (5)	N2—H2A	0.9200
C2—H2C	0.9900	N2—H2B	0.9200
C2—H2D	0.9900	N3—O3	1.392 (4)
C3—O4	1.295 (5)	N4—H4A	0.9200
C3—N3	1.296 (5)	N4—H4B	0.9200
C3—C4	1.495 (6)	N5—O5	1.398 (4)
C4—N4	1.486 (5)	N6—H6A	0.9200
C4—H4C	0.9900	N6—H6B	0.9200
C4—H4D	0.9900	N7—O7	1.391 (4)
C5—N5	1.293 (5)	N8—H8A	0.9200
C5—O6	1.304 (5)	N8—H8B	0.9200
C5—C6	1.508 (6)	N9—O9	1.396 (4)
C6—N6	1.487 (5)	N10—H10A	0.9200
C6—H6C	0.9900	N10—H10B	0.9200
C6—H6D	0.9900	O11—S1	1.522 (4)
C7—N7	1.296 (5)	O12—S1	1.500 (3)
C7—O8	1.297 (5)	O13—S1	1.472 (4)
C7—C8	1.509 (5)	O14—S1	1.459 (4)
C8—N8	1.485 (5)	O15—H15A	0.84 (2)
C8—H8C	0.9900	O15—H15B	0.84 (2)
C8—H8D	0.9900	O16—H16A	0.83 (2)
C9—O10	1.289 (5)	O16—H16B	0.83 (2)
C9—N9	1.294 (5)	O17—H17A	0.83 (2)
C9—C10	1.499 (6)	O17—H17B	0.83 (2)
C10—N10	1.475 (5)	O18—H18A	0.84 (2)
C10—H10C	0.9900	O18—H18B	0.83 (2)
C10—H10D	0.9900	O19—H19A	0.84 (2)
Cu1—N3	1.911 (4)	O19—H19B	0.84 (2)
Cu1—O1	1.917 (3)	O20—H20A	0.83 (2)
Cu1—O2	1.966 (3)	O20—H20B	0.83 (2)
Cu1—N4	1.996 (4)	O21—H21A	0.83 (2)
Cu2—N5	1.904 (3)	O21—H21B	0.83 (2)
Cu2—O3	1.922 (3)	O22—H22A	0.84 (2)
Cu2—O4	1.942 (3)	O22—H22B	0.83 (2)
Cu2—N6	2.013 (3)	O23—H23A	0.843 (19)
Cu2—O19	2.397 (10)	O23—H23B	0.846 (19)
Cu3—N7	1.902 (3)	O24—H24A	0.85 (2)
Cu3—O6	1.941 (3)	O24—H24B	0.84 (2)
Cu3—O5	1.945 (3)	O25—S2	1.516 (7)
Cu3—N8	2.003 (3)	O25—O26^i	1.709 (10)
Cu4—N9	1.896 (3)	O25—O28^i	1.742 (10)
Cu4—O7	1.938 (3)	O26—S2	1.436 (6)
Cu4—O8	1.940 (3)	O26—O28^i	1.582 (9)
Cu4—N10	2.009 (4)	O26—O27^i	1.674 (10)
Cu5—N1	1.896 (3)	O26—O25^i	1.709 (10)
Cu5—O9	1.934 (3)	O27—S2	1.490 (6)
Cu5—O10	1.944 (3)	O27—O26^i	1.674 (10)
Cu5—N2	2.008 (3)	O27—O28^i	1.694 (10)
Cu5—O18	2.385 (3)	O28—S2	1.460 (7)
Eu1—O9	2.389 (3)	O28—O26^i	1.582 (9)
Eu1—O1	2.394 (3)	O28—O27^i	1.694 (10)
Eu1—O3	2.399 (3)	O28—O25^i	1.742 (10)
Eu1—O7	2.429 (3)	S2—O26^i	1.436 (6)
Eu1—O15	2.431 (3)	S2—O28^i	1.460 (7)
Eu1—O5	2.437 (3)	S2—O27^i	1.490 (6)
Eu1—O11	2.463 (3)	S2—O25^i	1.516 (7)
N1—C1—O2	124.7 (4)	C3—N3—Cu1	118.3 (3)
N1—C1—C2	114.3 (3)	O3—N3—Cu1	125.7 (3)
O2—C1—C2	121.0 (3)	C4—N4—Cu1	110.4 (3)
N2—C2—C1	109.8 (3)	C4—N4—H4A	109.6
N2—C2—H2C	109.7	Cu1—N4—H4A	109.6
C1—C2—H2C	109.7	C4—N4—H4B	109.6
N2—C2—H2D	109.7	Cu1—N4—H4B	109.6
C1—C2—H2D	109.7	H4A—N4—H4B	108.1
H2C—C2—H2D	108.2	C5—N5—O5	115.5 (3)
O4—C3—N3	123.8 (4)	C5—N5—Cu2	118.6 (3)
O4—C3—C4	121.1 (3)	O5—N5—Cu2	125.5 (2)
N3—C3—C4	115.1 (4)	C6—N6—Cu2	109.9 (3)
N4—C4—C3	111.4 (3)	C6—N6—H6A	109.7
N4—C4—H4C	109.3	Cu2—N6—H6A	109.7
C3—C4—H4C	109.3	C6—N6—H6B	109.7
N4—C4—H4D	109.3	Cu2—N6—H6B	109.7
C3—C4—H4D	109.3	H6A—N6—H6B	108.2
H4C—C4—H4D	108.0	C7—N7—O7	115.4 (3)
N5—C5—O6	123.6 (4)	C7—N7—Cu3	119.1 (3)
N5—C5—C6	115.8 (4)	O7—N7—Cu3	125.3 (2)
O6—C5—C6	120.6 (4)	C8—N8—Cu3	110.5 (2)
N6—C6—C5	110.5 (3)	C8—N8—H8A	109.6
N6—C6—H6C	109.6	Cu3—N8—H8A	109.6
C5—C6—H6C	109.6	C8—N8—H8B	109.6
N6—C6—H6D	109.6	Cu3—N8—H8B	109.6
C5—C6—H6D	109.6	H8A—N8—H8B	108.1
H6C—C6—H6D	108.1	C9—N9—O9	115.6 (3)
N7—C7—O8	123.9 (4)	C9—N9—Cu4	119.4 (3)
N7—C7—C8	115.2 (4)	O9—N9—Cu4	124.3 (2)
O8—C7—C8	120.9 (3)	C10—N10—Cu4	110.5 (3)
N8—C8—C7	109.5 (3)	C10—N10—H10A	109.6
N8—C8—H8C	109.8	Cu4—N10—H10A	109.6
C7—C8—H8C	109.8	C10—N10—H10B	109.6
N8—C8—H8D	109.8	Cu4—N10—H10B	109.6
C7—C8—H8D	109.8	H10A—N10—H10B	108.1
H8C—C8—H8D	108.2	N1—O1—Cu1	106.6 (2)
O10—C9—N9	123.9 (4)	N1—O1—Eu1	125.1 (2)
O10—C9—C10	121.1 (4)	Cu1—O1—Eu1	125.79 (14)
N9—C9—C10	115.0 (4)	C1—O2—Cu1	104.5 (2)
N10—C10—C9	110.9 (3)	N3—O3—Cu2	109.4 (2)
N10—C10—H10C	109.5	N3—O3—Eu1	121.9 (2)
C9—C10—H10C	109.5	Cu2—O3—Eu1	128.60 (14)
N10—C10—H10D	109.5	C3—O4—Cu2	107.6 (2)
C9—C10—H10D	109.5	N5—O5—Cu3	107.4 (2)
H10C—C10—H10D	108.0	N5—O5—Eu1	124.0 (2)
N3—Cu1—O1	90.98 (13)	Cu3—O5—Eu1	124.14 (13)
N3—Cu1—O2	176.15 (14)	C5—O6—Cu3	107.0 (2)
O1—Cu1—O2	85.72 (12)	N7—O7—Cu4	108.0 (2)
N3—Cu1—N4	83.60 (14)	N7—O7—Eu1	123.9 (2)
O1—Cu1—N4	174.29 (14)	Cu4—O7—Eu1	126.06 (13)
O2—Cu1—N4	99.62 (13)	C7—O8—Cu4	107.3 (2)
N5—Cu2—O3	89.80 (13)	N9—O9—Cu5	107.8 (2)
N5—Cu2—O4	172.71 (14)	N9—O9—Eu1	125.7 (2)
O3—Cu2—O4	84.31 (12)	Cu5—O9—Eu1	126.37 (13)
N5—Cu2—N6	83.30 (14)	C9—O10—Cu5	107.4 (2)
O3—Cu2—N6	171.29 (14)	S1—O11—Eu1	99.56 (17)
O4—Cu2—N6	102.14 (14)	S1—O12—Eu1	100.07 (16)
N5—Cu2—O19	92.1 (3)	Eu1—O15—H15A	117 (4)
O3—Cu2—O19	97.0 (3)	Eu1—O15—H15B	113 (4)
O4—Cu2—O19	92.9 (3)	H15A—O15—H15B	113 (6)
N6—Cu2—O19	88.6 (3)	H16A—O16—H16B	109 (6)
N7—Cu3—O6	173.96 (14)	H17A—O17—H17B	106 (6)
N7—Cu3—O5	91.23 (13)	Cu5—O18—H18A	120 (4)
O6—Cu3—O5	84.90 (12)	Cu5—O18—H18B	116 (4)
N7—Cu3—N8	82.54 (14)	H18A—O18—H18B	95 (6)
O6—Cu3—N8	100.63 (13)	Cu2—O19—H19A	115 (10)
O5—Cu3—N8	169.99 (13)	Cu2—O19—H19B	120 (10)
N9—Cu4—O7	89.43 (13)	H19A—O19—H19B	120 (10)
N9—Cu4—O8	172.29 (14)	H20A—O20—H20B	106 (7)
O7—Cu4—O8	85.08 (12)	H21A—O21—H21B	111 (7)
N9—Cu4—N10	83.13 (15)	H22A—O22—H22B	108 (6)
O7—Cu4—N10	165.70 (14)	H23A—O23—H23B	105 (3)
O8—Cu4—N10	101.03 (14)	H24A—O24—H24B	106 (3)
N1—Cu5—O9	89.42 (13)	S2—O25—O26^i	52.5 (3)
N1—Cu5—O10	164.18 (15)	S2—O25—O28^i	52.7 (3)
O9—Cu5—O10	85.16 (12)	O26^i—O25—O28^i	89.3 (5)
N1—Cu5—N2	82.89 (14)	S2—O26—O28^i	57.6 (3)
O9—Cu5—N2	172.06 (13)	S2—O26—O27^i	56.6 (3)
O10—Cu5—N2	101.74 (13)	O28^i—O26—O27^i	95.7 (5)
N1—Cu5—O18	104.43 (14)	S2—O26—O25^i	56.8 (3)
O9—Cu5—O18	93.02 (13)	O28^i—O26—O25^i	94.2 (5)
O10—Cu5—O18	90.71 (13)	O27^i—O26—O25^i	89.5 (5)
N2—Cu5—O18	90.83 (14)	S2—O27—O26^i	53.6 (3)
O9—Eu1—O1	71.53 (10)	S2—O27—O28^i	54.1 (3)
O9—Eu1—O3	144.59 (10)	O26^i—O27—O28^i	92.1 (5)
O1—Eu1—O3	73.79 (10)	S2—O28—O26^i	56.2 (3)
O9—Eu1—O7	70.40 (9)	S2—O28—O27^i	55.8 (3)
O1—Eu1—O7	131.59 (10)	O26^i—O28—O27^i	94.2 (5)
O3—Eu1—O7	142.33 (10)	S2—O28—O25^i	55.7 (3)
O9—Eu1—O15	100.27 (11)	O26^i—O28—O25^i	92.7 (5)
O1—Eu1—O15	75.38 (10)	O27^i—O28—O25^i	87.8 (5)
O3—Eu1—O15	77.49 (11)	O14—S1—O13	111.1 (2)
O7—Eu1—O15	83.14 (11)	O14—S1—O12	110.8 (2)
O9—Eu1—O5	143.15 (9)	O13—S1—O12	109.50 (19)
O1—Eu1—O5	139.38 (10)	O14—S1—O11	110.4 (2)
O3—Eu1—O5	71.53 (9)	O13—S1—O11	112.2 (2)
O7—Eu1—O5	72.80 (9)	O12—S1—O11	102.56 (19)
O15—Eu1—O5	77.04 (10)	O14—S1—Eu1	118.51 (16)
O9—Eu1—O11	89.45 (11)	O13—S1—Eu1	130.41 (14)
O1—Eu1—O11	78.68 (11)	O12—S1—Eu1	51.51 (13)
O3—Eu1—O11	76.88 (11)	O11—S1—Eu1	51.50 (13)
O7—Eu1—O11	129.05 (11)	O26^i—S2—O26	180.000 (2)
O15—Eu1—O11	147.60 (11)	O26^i—S2—O28^i	113.8 (4)
O5—Eu1—O11	112.67 (11)	O26—S2—O28^i	66.2 (4)
O9—Eu1—O12	84.30 (11)	O26^i—S2—O28	66.2 (4)
O1—Eu1—O12	129.73 (11)	O26—S2—O28	113.8 (4)
O3—Eu1—O12	113.33 (11)	O28^i—S2—O28	180.000 (1)
O7—Eu1—O12	74.18 (11)	O26^i—S2—O27	69.8 (4)
O15—Eu1—O12	153.91 (10)	O26—S2—O27	110.2 (4)
O5—Eu1—O12	83.98 (10)	O28^i—S2—O27	70.1 (4)
O11—Eu1—O12	57.16 (11)	O28—S2—O27	109.9 (4)
O9—Eu1—S1	83.93 (8)	O26^i—S2—O27^i	110.2 (4)
O1—Eu1—S1	103.75 (8)	O26—S2—O27^i	69.8 (4)
O3—Eu1—S1	97.58 (8)	O28^i—S2—O27^i	109.9 (4)
O7—Eu1—S1	100.82 (8)	O28—S2—O27^i	70.1 (4)
O15—Eu1—S1	175.06 (8)	O27—S2—O27^i	179.999 (2)
O5—Eu1—S1	101.19 (7)	O26^i—S2—O25^i	109.3 (4)
O11—Eu1—S1	28.93 (8)	O26—S2—O25^i	70.7 (4)
O12—Eu1—S1	28.42 (8)	O28^i—S2—O25^i	108.4 (4)
C1—N1—O1	115.7 (3)	O28—S2—O25^i	71.6 (4)
C1—N1—Cu5	119.5 (3)	O27—S2—O25^i	75.2 (4)
O1—N1—Cu5	124.3 (2)	O27^i—S2—O25^i	104.8 (4)
C2—N2—Cu5	109.8 (2)	O26^i—S2—O25	70.7 (4)
C2—N2—H2A	109.7	O26—S2—O25	109.3 (4)
Cu5—N2—H2A	109.7	O28^i—S2—O25	71.6 (4)
C2—N2—H2B	109.7	O28—S2—O25	108.4 (4)
Cu5—N2—H2B	109.7	O27—S2—O25	104.8 (4)
H2A—N2—H2B	108.2	O27^i—S2—O25	75.2 (4)
C3—N3—O3	114.1 (3)	O25^i—S2—O25	179.999 (1)
N1—C1—C2—N2	18.9 (5)	C6—C5—O6—Cu3	−169.3 (3)
O2—C1—C2—N2	−161.4 (4)	O5—Cu3—O6—C5	−10.6 (3)
O4—C3—C4—N4	169.5 (4)	N8—Cu3—O6—C5	177.8 (3)
N3—C3—C4—N4	−10.2 (5)	C7—N7—O7—Cu4	2.9 (4)
N5—C5—C6—N6	5.6 (5)	Cu3—N7—O7—Cu4	−172.00 (19)
O6—C5—C6—N6	−175.9 (4)	C7—N7—O7—Eu1	167.8 (3)
N7—C7—C8—N8	−9.5 (5)	Cu3—N7—O7—Eu1	−7.2 (4)
O8—C7—C8—N8	170.6 (3)	N9—Cu4—O7—N7	−178.3 (3)
O10—C9—C10—N10	168.3 (4)	O8—Cu4—O7—N7	−3.8 (2)
N9—C9—C10—N10	−11.3 (5)	N10—Cu4—O7—N7	−119.9 (5)
O2—C1—N1—O1	−0.6 (6)	N9—Cu4—O7—Eu1	17.25 (19)
C2—C1—N1—O1	179.1 (3)	O8—Cu4—O7—Eu1	−168.18 (19)
O2—C1—N1—Cu5	171.8 (3)	N10—Cu4—O7—Eu1	75.7 (6)
C2—C1—N1—Cu5	−8.6 (5)	O9—Eu1—O7—N7	178.5 (3)
O9—Cu5—N1—C1	175.3 (3)	O1—Eu1—O7—N7	138.5 (3)
O10—Cu5—N1—C1	105.5 (5)	O3—Eu1—O7—N7	15.9 (4)
N2—Cu5—N1—C1	−2.7 (3)	O15—Eu1—O7—N7	75.0 (3)
O18—Cu5—N1—C1	−91.7 (3)	O5—Eu1—O7—N7	−3.5 (3)
O9—Cu5—N1—O1	−13.0 (3)	O11—Eu1—O7—N7	−109.1 (3)
O10—Cu5—N1—O1	−82.8 (6)	O12—Eu1—O7—N7	−92.0 (3)
N2—Cu5—N1—O1	169.0 (3)	S1—Eu1—O7—N7	−102.0 (3)
O18—Cu5—N1—O1	80.0 (3)	O9—Eu1—O7—Cu4	−19.41 (16)
C1—C2—N2—Cu5	−19.9 (4)	O1—Eu1—O7—Cu4	−59.5 (2)
N1—Cu5—N2—C2	13.0 (3)	O3—Eu1—O7—Cu4	177.93 (14)
O10—Cu5—N2—C2	−151.6 (3)	O15—Eu1—O7—Cu4	−122.92 (19)
O18—Cu5—N2—C2	117.5 (3)	O5—Eu1—O7—Cu4	158.6 (2)
O4—C3—N3—O3	−1.7 (6)	O11—Eu1—O7—Cu4	53.0 (2)
C4—C3—N3—O3	178.0 (3)	O12—Eu1—O7—Cu4	70.09 (18)
O4—C3—N3—Cu1	−167.1 (3)	S1—Eu1—O7—Cu4	60.08 (17)
C4—C3—N3—Cu1	12.6 (5)	N7—C7—O8—Cu4	−3.7 (5)
O1—Cu1—N3—C3	173.4 (3)	C8—C7—O8—Cu4	176.2 (3)
N4—Cu1—N3—C3	−8.4 (3)	O7—Cu4—O8—C7	4.0 (3)
O1—Cu1—N3—O3	9.9 (3)	N10—Cu4—O8—C7	170.9 (3)
N4—Cu1—N3—O3	−171.9 (3)	C9—N9—O9—Cu5	−0.3 (4)
C3—C4—N4—Cu1	3.5 (4)	Cu4—N9—O9—Cu5	169.80 (19)
N3—Cu1—N4—C4	1.9 (3)	C9—N9—O9—Eu1	176.5 (3)
O2—Cu1—N4—C4	179.8 (3)	Cu4—N9—O9—Eu1	−13.4 (4)
O6—C5—N5—O5	0.0 (6)	N1—Cu5—O9—N9	−163.5 (3)
C6—C5—N5—O5	178.4 (3)	O10—Cu5—O9—N9	1.6 (2)
O6—C5—N5—Cu2	−173.3 (3)	O18—Cu5—O9—N9	92.1 (2)
C6—C5—N5—Cu2	5.2 (5)	N1—Cu5—O9—Eu1	19.70 (19)
O3—Cu2—N5—C5	164.5 (3)	O10—Cu5—O9—Eu1	−175.18 (19)
N6—Cu2—N5—C5	−10.2 (3)	O18—Cu5—O9—Eu1	−84.72 (18)
O19—Cu2—N5—C5	−98.5 (4)	O1—Eu1—O9—N9	167.0 (3)
O3—Cu2—N5—O5	−8.0 (3)	O3—Eu1—O9—N9	179.1 (3)
N6—Cu2—N5—O5	177.3 (3)	O7—Eu1—O9—N9	17.4 (3)
O19—Cu2—N5—O5	89.0 (4)	O15—Eu1—O9—N9	96.3 (3)
C5—C6—N6—Cu2	−12.6 (4)	O5—Eu1—O9—N9	14.2 (4)
N5—Cu2—N6—C6	12.3 (3)	O11—Eu1—O9—N9	−114.8 (3)
O4—Cu2—N6—C6	−162.8 (3)	O12—Eu1—O9—N9	−57.8 (3)
O19—Cu2—N6—C6	104.6 (4)	S1—Eu1—O9—N9	−86.3 (3)
O8—C7—N7—O7	0.5 (6)	O1—Eu1—O9—Cu5	−16.79 (17)
C8—C7—N7—O7	−179.4 (3)	O3—Eu1—O9—Cu5	−4.6 (3)
O8—C7—N7—Cu3	175.8 (3)	O7—Eu1—O9—Cu5	−166.3 (2)
C8—C7—N7—Cu3	−4.1 (5)	O15—Eu1—O9—Cu5	−87.46 (19)
O5—Cu3—N7—C7	−160.5 (3)	O5—Eu1—O9—Cu5	−169.51 (14)
N8—Cu3—N7—C7	11.7 (3)	O11—Eu1—O9—Cu5	61.46 (19)
O5—Cu3—N7—O7	14.3 (3)	O12—Eu1—O9—Cu5	118.49 (19)
N8—Cu3—N7—O7	−173.6 (3)	S1—Eu1—O9—Cu5	89.92 (17)
C7—C8—N8—Cu3	17.5 (4)	N9—C9—O10—Cu5	3.5 (5)
N7—Cu3—N8—C8	−15.9 (3)	C10—C9—O10—Cu5	−176.0 (3)
O6—Cu3—N8—C8	158.9 (3)	N1—Cu5—O10—C9	67.7 (6)
O5—Cu3—N8—C8	36.0 (9)	O9—Cu5—O10—C9	−2.7 (3)
O10—C9—N9—O9	−2.3 (6)	N2—Cu5—O10—C9	173.4 (3)
C10—C9—N9—O9	177.2 (3)	O18—Cu5—O10—C9	−95.6 (3)
O10—C9—N9—Cu4	−172.9 (3)	O9—Eu1—O11—S1	78.40 (17)
C10—C9—N9—Cu4	6.6 (5)	O1—Eu1—O11—S1	149.67 (19)
O7—Cu4—N9—C9	167.5 (3)	O3—Eu1—O11—S1	−134.55 (19)
N10—Cu4—N9—C9	−0.3 (3)	O7—Eu1—O11—S1	14.5 (2)
O7—Cu4—N9—O9	−2.3 (3)	O15—Eu1—O11—S1	−173.07 (14)
N10—Cu4—N9—O9	−170.0 (3)	O5—Eu1—O11—S1	−71.28 (19)
C9—C10—N10—Cu4	10.5 (4)	O12—Eu1—O11—S1	−5.17 (15)
N9—Cu4—N10—C10	−6.0 (3)	O9—Eu1—O12—S1	−87.78 (17)
O7—Cu4—N10—C10	−65.1 (7)	O1—Eu1—O12—S1	−27.6 (2)
O8—Cu4—N10—C10	−179.4 (3)	O3—Eu1—O12—S1	60.32 (19)
C1—N1—O1—Cu1	12.4 (4)	O7—Eu1—O12—S1	−158.99 (19)
Cu5—N1—O1—Cu1	−159.5 (2)	O15—Eu1—O12—S1	170.46 (18)
C1—N1—O1—Eu1	175.4 (3)	O5—Eu1—O12—S1	127.22 (18)
Cu5—N1—O1—Eu1	3.5 (4)	O11—Eu1—O12—S1	5.26 (15)
N3—Cu1—O1—N1	163.7 (2)	Eu1—O12—S1—O14	110.5 (2)
O2—Cu1—O1—N1	−14.3 (2)	Eu1—O12—S1—O13	−126.66 (18)
N3—Cu1—O1—Eu1	0.9 (2)	Eu1—O12—S1—O11	−7.3 (2)
O2—Cu1—O1—Eu1	−177.10 (19)	Eu1—O11—S1—O14	−110.8 (2)
O9—Eu1—O1—N1	7.0 (3)	Eu1—O11—S1—O13	124.74 (17)
O3—Eu1—O1—N1	−165.7 (3)	Eu1—O11—S1—O12	7.3 (2)
O7—Eu1—O1—N1	46.7 (3)	O9—Eu1—S1—O14	−5.6 (2)
O15—Eu1—O1—N1	113.4 (3)	O1—Eu1—S1—O14	63.6 (2)
O5—Eu1—O1—N1	162.0 (2)	O3—Eu1—S1—O14	138.7 (2)
O11—Eu1—O1—N1	−86.2 (3)	O7—Eu1—S1—O14	−74.3 (2)
O12—Eu1—O1—N1	−58.6 (3)	O5—Eu1—S1—O14	−148.7 (2)
S1—Eu1—O1—N1	−71.7 (3)	O11—Eu1—S1—O14	94.3 (3)
O9—Eu1—O1—Cu1	166.8 (2)	O12—Eu1—S1—O14	−94.9 (3)
O3—Eu1—O1—Cu1	−5.92 (17)	O9—Eu1—S1—O13	172.5 (2)
O7—Eu1—O1—Cu1	−153.51 (15)	O1—Eu1—S1—O13	−118.2 (2)
O15—Eu1—O1—Cu1	−86.87 (19)	O3—Eu1—S1—O13	−43.1 (2)
O5—Eu1—O1—Cu1	−38.2 (3)	O7—Eu1—S1—O13	103.9 (2)
O11—Eu1—O1—Cu1	73.54 (19)	O5—Eu1—S1—O13	29.5 (2)
O12—Eu1—O1—Cu1	101.2 (2)	O11—Eu1—S1—O13	−87.6 (3)
S1—Eu1—O1—Cu1	88.11 (17)	O12—Eu1—S1—O13	83.3 (3)
N1—C1—O2—Cu1	−11.2 (5)	O9—Eu1—S1—O12	89.23 (19)
C2—C1—O2—Cu1	169.2 (3)	O1—Eu1—S1—O12	158.50 (19)
O1—Cu1—O2—C1	13.8 (3)	O3—Eu1—S1—O12	−126.41 (19)
N4—Cu1—O2—C1	−164.2 (3)	O7—Eu1—S1—O12	20.56 (19)
C3—N3—O3—Cu2	−5.3 (4)	O5—Eu1—S1—O12	−53.83 (19)
Cu1—N3—O3—Cu2	158.8 (2)	O11—Eu1—S1—O12	−170.8 (3)
C3—N3—O3—Eu1	178.6 (3)	O9—Eu1—S1—O11	−99.93 (19)
Cu1—N3—O3—Eu1	−17.3 (4)	O1—Eu1—S1—O11	−30.65 (19)
N5—Cu2—O3—N3	−168.4 (3)	O3—Eu1—S1—O11	44.44 (19)
O4—Cu2—O3—N3	7.3 (3)	O7—Eu1—S1—O11	−168.59 (19)
O19—Cu2—O3—N3	99.5 (4)	O5—Eu1—S1—O11	117.02 (19)
N5—Cu2—O3—Eu1	7.3 (2)	O12—Eu1—S1—O11	170.8 (3)
O4—Cu2—O3—Eu1	−177.0 (2)	O27^i—O26—S2—O28^i	−124.0 (5)
O19—Cu2—O3—Eu1	−84.8 (3)	O25^i—O26—S2—O28^i	121.3 (5)
O9—Eu1—O3—N3	0.1 (4)	O28^i—O26—S2—O28	180.000 (1)
O1—Eu1—O3—N3	12.1 (3)	O27^i—O26—S2—O28	56.0 (5)
O7—Eu1—O3—N3	151.1 (2)	O25^i—O26—S2—O28	−58.7 (5)
O15—Eu1—O3—N3	90.3 (3)	O28^i—O26—S2—O27	−56.0 (5)
O5—Eu1—O3—N3	170.6 (3)	O27^i—O26—S2—O27	180.000 (3)
O11—Eu1—O3—N3	−69.7 (3)	O25^i—O26—S2—O27	65.3 (5)
O12—Eu1—O3—N3	−114.7 (3)	O28^i—O26—S2—O27^i	124.0 (5)
S1—Eu1—O3—N3	−90.1 (3)	O25^i—O26—S2—O27^i	−114.7 (5)
O9—Eu1—O3—Cu2	−175.16 (15)	O28^i—O26—S2—O25^i	−121.3 (5)
O1—Eu1—O3—Cu2	−163.2 (2)	O27^i—O26—S2—O25^i	114.7 (5)
O7—Eu1—O3—Cu2	−24.2 (3)	O28^i—O26—S2—O25	58.7 (5)
O15—Eu1—O3—Cu2	−85.0 (2)	O27^i—O26—S2—O25	−65.3 (5)
O5—Eu1—O3—Cu2	−4.66 (18)	O25^i—O26—S2—O25	180.000 (2)
O11—Eu1—O3—Cu2	115.0 (2)	O27^i—O28—S2—O26^i	124.1 (5)
O12—Eu1—O3—Cu2	70.0 (2)	O25^i—O28—S2—O26^i	−121.8 (4)
S1—Eu1—O3—Cu2	94.66 (19)	O26^i—O28—S2—O26	180.0
N3—C3—O4—Cu2	7.6 (5)	O27^i—O28—S2—O26	−55.9 (5)
C4—C3—O4—Cu2	−172.1 (3)	O25^i—O28—S2—O26	58.2 (4)
O3—Cu2—O4—C3	−7.9 (3)	O26^i—O28—S2—O27	55.9 (5)
N6—Cu2—O4—C3	166.2 (3)	O27^i—O28—S2—O27	180.001 (2)
O19—Cu2—O4—C3	−104.7 (3)	O25^i—O28—S2—O27	−65.9 (4)
C5—N5—O5—Cu3	−9.0 (4)	O26^i—O28—S2—O27^i	−124.1 (5)
Cu2—N5—O5—Cu3	163.7 (2)	O25^i—O28—S2—O27^i	114.1 (4)
C5—N5—O5—Eu1	−165.9 (3)	O26^i—O28—S2—O25^i	121.8 (4)
Cu2—N5—O5—Eu1	6.8 (4)	O27^i—O28—S2—O25^i	−114.1 (4)
N7—Cu3—O5—N5	−174.0 (2)	O26^i—O28—S2—O25	−58.2 (4)
O6—Cu3—O5—N5	10.7 (2)	O27^i—O28—S2—O25	65.9 (4)
N8—Cu3—O5—N5	134.7 (7)	O25^i—O28—S2—O25	180.001 (1)
N7—Cu3—O5—Eu1	−17.14 (18)	O28^i—O27—S2—O26^i	−126.2 (4)
O6—Cu3—O5—Eu1	167.51 (17)	O26^i—O27—S2—O26	180.000 (3)
N8—Cu3—O5—Eu1	−68.4 (8)	O28^i—O27—S2—O26	53.8 (4)
O9—Eu1—O5—N5	169.6 (2)	O26^i—O27—S2—O28^i	126.2 (4)
O1—Eu1—O5—N5	31.5 (3)	O26^i—O27—S2—O28	−53.8 (4)
O3—Eu1—O5—N5	−1.2 (3)	O28^i—O27—S2—O28	180.000 (2)
O7—Eu1—O5—N5	166.4 (3)	O26^i—O27—S2—O25^i	−117.5 (4)
O15—Eu1—O5—N5	79.7 (3)	O28^i—O27—S2—O25^i	116.3 (4)
O11—Eu1—O5—N5	−67.7 (3)	O26^i—O27—S2—O25	62.5 (4)
O12—Eu1—O5—N5	−118.3 (3)	O28^i—O27—S2—O25	−63.7 (4)
S1—Eu1—O5—N5	−95.6 (3)	O28^i—O25—S2—O26^i	124.5 (4)
O9—Eu1—O5—Cu3	16.5 (3)	O26^i—O25—S2—O26	180.000 (2)
O1—Eu1—O5—Cu3	−121.59 (17)	O28^i—O25—S2—O26	−55.5 (4)
O3—Eu1—O5—Cu3	−154.31 (19)	O26^i—O25—S2—O28^i	−124.5 (4)
O7—Eu1—O5—Cu3	13.36 (15)	O26^i—O25—S2—O28	55.5 (4)
O15—Eu1—O5—Cu3	−73.37 (16)	O28^i—O25—S2—O28	180.000 (1)
O11—Eu1—O5—Cu3	139.20 (16)	O26^i—O25—S2—O27	−61.9 (4)
O12—Eu1—O5—Cu3	88.62 (17)	O28^i—O25—S2—O27	62.6 (4)
S1—Eu1—O5—Cu3	111.35 (15)	O26^i—O25—S2—O27^i	118.1 (4)
N5—C5—O6—Cu3	9.0 (5)	O28^i—O25—S2—O27^i	−117.4 (4)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O15^ii	0.92	2.04	2.935 (5)	163
N2—H2B···O27	0.92	2.55	3.433 (8)	160
N2—H2B···O28^i	0.92	2.04	2.845 (7)	145
N4—H4B···O2^iii	0.92	2.31	3.176 (5)	156
N4—H4A···O25^iii	0.92	1.99	2.781 (8)	142
N4—H4A···O27^iv	0.92	2.17	3.032 (8)	156
N6—H6A···O13^iv	0.92	2.23	3.145 (5)	176
N6—H6B···O24^v	0.92	2.22	2.975 (6)	139
N8—H8B···O12^v	0.92	2.03	2.930 (5)	167
N8—H8A···O23	0.92	2.18	3.017 (5)	152
N10—H10A···O20^vi	0.92	2.22	2.977 (5)	140
N10—H10B···O22^vii	0.92	2.11	2.915 (5)	145
O15—H15B···O16	0.84 (2)	1.87 (2)	2.695 (4)	171 (6)
O15—H15A···O21	0.84 (2)	1.83 (2)	2.667 (5)	171 (6)
O16—H16A···O17^iv	0.83 (2)	1.95 (2)	2.775 (5)	174 (6)
O16—H16B···O22	0.83 (2)	1.90 (2)	2.729 (5)	174 (6)
O17—H17B···O6^v	0.83 (2)	1.89 (2)	2.726 (4)	177 (6)
O17—H17A···O12	0.83 (2)	2.16 (3)	2.917 (5)	152 (6)
O18—H18B···O14	0.83 (2)	1.94 (3)	2.734 (5)	160 (6)
O18—H18A···O26^i	0.84 (2)	2.00 (3)	2.820 (8)	167 (6)
O18—H18A···O27	0.84 (2)	1.96 (4)	2.663 (8)	141 (6)
O19—H19A···O24^viii	0.84 (2)	1.69 (8)	2.486 (12)	156 (20)
O19—H19B···O24^v	0.84 (2)	2.11 (12)	2.872 (11)	150 (21)
O20—H20B···O11	0.83 (2)	2.15 (2)	2.970 (5)	173 (7)
O20—H20A···O25	0.83 (2)	1.98 (4)	2.752 (8)	154 (7)
O20—H20A···O26^i	0.83 (2)	2.13 (4)	2.897 (8)	153 (6)
O21—H21B···O10^ii	0.83 (2)	1.90 (2)	2.721 (5)	169 (7)
O21—H21A···O18^iv	0.83 (2)	1.94 (3)	2.754 (5)	164 (7)
O22—H22B···O23	0.83 (2)	1.91 (3)	2.703 (5)	160 (7)
O22—H22A···O26^ii	0.84 (2)	2.14 (3)	2.948 (8)	160 (6)
O22—H22A···O28^ix	0.84 (2)	1.95 (4)	2.733 (8)	155 (7)
O23—H23A···O4^vi	0.84 (2)	1.88 (2)	2.725 (4)	177 (6)
O23—H23B···O13^ix	0.85 (2)	2.03 (3)	2.859 (5)	165 (5)
O24—H24B···O8	0.84 (2)	2.01 (3)	2.803 (5)	158 (7)
O24—H24A···O11^vi	0.85 (2)	2.18 (3)	2.988 (5)	160 (7)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) x+1, y+1, z.

(V) hexaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) heptaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)gadolinium(III) sulfate hexahydrate

Crystal data

[Cu5Gd(C2H4N2O2)5(SO4)(H2O)6.5]2(SO4)·6H2O	Z = 1
Mr = 2461.10	F(000) = 1212
Triclinic, P1	Dx = 2.395 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.603 (3) Å	Cell parameters from 4881 reflections
b = 11.555 (3) Å	θ = 2.2–30.7°
c = 16.220 (5) Å	µ = 5.18 mm^−1
α = 99.700 (4)°	T = 100 K
β = 91.472 (5)°	Plate, blue
γ = 105.356 (4)°	0.12 × 0.12 × 0.04 mm
V = 1706.1 (8) Å^3

Data collection

Bruker SMART APEX CCD area-detector diffractometer	10795 independent reflections
Radiation source: fine-focus sealed tube	8342 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.037
ω scans	θmax = 32.1°, θmin = 1.3°
Absorption correction: multi-scan (APEX2; Bruker, 2009)	h = −14→13
Tmin = 0.621, Tmax = 0.746	k = −16→17
20703 measured reflections	l = −24→23

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.038	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.082	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ^2(Fo^2) + (0.0273P)^2 + 2.6378P] where P = (Fo^2 + 2Fc^2)/3
10795 reflections	(Δ/σ)max = 0.002
562 parameters	Δρmax = 1.53 e Å^−3
20 restraints	Δρmin = −1.42 e Å^−3

Special details

Experimental. One sulfate anion is located in an inversion centre and its O atoms are 1:1 disordered. One water molecule is disordered over two crystallographically equivalent positions bonded to neighbouring molecules.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4428 (4)	0.2623 (4)	0.5044 (2)	0.0103 (7)
C2	0.3616 (4)	0.2948 (4)	0.5790 (2)	0.0134 (8)
H2C	0.3218	0.2215	0.6040	0.016*
H2D	0.4283	0.3572	0.6220	0.016*
C3	0.6790 (4)	0.0422 (3)	0.2489 (3)	0.0107 (7)
C4	0.6932 (5)	−0.0367 (4)	0.3111 (3)	0.0160 (8)
H4C	0.6327	−0.1210	0.2901	0.019*
H4D	0.7952	−0.0391	0.3172	0.019*
C5	0.7900 (4)	0.3486 (4)	0.0323 (3)	0.0119 (8)
C6	0.8875 (5)	0.2708 (4)	−0.0007 (3)	0.0145 (8)
H6C	0.8780	0.2545	−0.0627	0.017*
H6D	0.9896	0.3152	0.0178	0.017*
C7	0.5262 (4)	0.6996 (4)	0.1299 (2)	0.0107 (7)
C8	0.6023 (4)	0.7510 (4)	0.0591 (3)	0.0130 (8)
H8C	0.5323	0.7360	0.0100	0.016*
H8D	0.6439	0.8402	0.0762	0.016*
C9	0.2162 (4)	0.5822 (4)	0.3891 (2)	0.0107 (7)
C10	0.1659 (5)	0.6921 (4)	0.3802 (3)	0.0147 (8)
H10C	0.0599	0.6670	0.3666	0.018*
H10D	0.1868	0.7505	0.4341	0.018*
Cu1	0.57416 (5)	0.15421 (5)	0.38924 (3)	0.01125 (10)
Cu2	0.71754 (6)	0.16352 (5)	0.12434 (3)	0.01286 (11)
Cu3	0.68578 (5)	0.53573 (4)	0.08041 (3)	0.00980 (10)
Cu4	0.35034 (5)	0.64777 (4)	0.24855 (3)	0.00960 (10)
Cu5	0.28147 (5)	0.40000 (4)	0.44361 (3)	0.01019 (10)
Gd1	0.48332 (2)	0.356940 (17)	0.242913 (12)	0.00737 (5)
N1	0.4238 (4)	0.3135 (3)	0.4419 (2)	0.0102 (6)
N2	0.2418 (4)	0.3427 (3)	0.5527 (2)	0.0127 (7)
H2A	0.2339	0.4065	0.5931	0.015*
H2B	0.1557	0.2824	0.5468	0.015*
N3	0.6116 (4)	0.1232 (3)	0.2731 (2)	0.0107 (6)
N4	0.6474 (4)	0.0094 (3)	0.3944 (2)	0.0160 (7)
H4A	0.7247	0.0306	0.4338	0.019*
H4B	0.5757	−0.0511	0.4104	0.019*
N5	0.7031 (4)	0.3069 (3)	0.0863 (2)	0.0107 (6)
N6	0.8491 (4)	0.1534 (3)	0.0302 (2)	0.0120 (7)
H6A	0.9318	0.1371	0.0491	0.014*
H6B	0.8033	0.0911	−0.0128	0.014*
N7	0.5588 (4)	0.6047 (3)	0.1479 (2)	0.0109 (6)
N8	0.7200 (4)	0.6920 (3)	0.0359 (2)	0.0114 (7)
H8A	0.8081	0.7439	0.0579	0.014*
H8B	0.7219	0.6761	−0.0215	0.014*
N9	0.2929 (4)	0.5489 (3)	0.3303 (2)	0.0093 (6)
N10	0.2388 (4)	0.7524 (3)	0.3135 (2)	0.0145 (7)
H10A	0.3009	0.8268	0.3371	0.017*
H10B	0.1709	0.7658	0.2779	0.017*
O1	0.4996 (3)	0.2877 (3)	0.37193 (17)	0.0110 (6)
O2	0.5240 (3)	0.1896 (3)	0.50562 (17)	0.0120 (6)
O3	0.6045 (3)	0.1999 (3)	0.21635 (17)	0.0133 (6)
O4	0.7341 (3)	0.0290 (3)	0.17727 (17)	0.0116 (6)
O5	0.6162 (3)	0.3812 (3)	0.11830 (17)	0.0106 (5)
O6	0.7984 (3)	0.4510 (3)	0.00758 (17)	0.0123 (6)
O7	0.4866 (3)	0.5553 (3)	0.21249 (17)	0.0111 (6)
O8	0.4337 (3)	0.7488 (3)	0.16884 (18)	0.0128 (6)
O9	0.3465 (3)	0.4506 (3)	0.34040 (17)	0.0116 (6)
O10	0.1823 (3)	0.5280 (3)	0.45172 (17)	0.0131 (6)
O11	0.2853 (3)	0.1685 (3)	0.22162 (18)	0.0137 (6)
O12	0.2700 (3)	0.3216 (3)	0.14598 (17)	0.0117 (6)
O13	0.1430 (3)	0.1116 (3)	0.08670 (18)	0.0163 (6)
O14	0.0551 (3)	0.2171 (3)	0.20625 (19)	0.0192 (7)
O15	0.7248 (3)	0.4612 (3)	0.30137 (18)	0.0132 (6)
H15A	0.768 (5)	0.422 (4)	0.326 (3)	0.020*
H15B	0.783 (4)	0.494 (4)	0.268 (3)	0.020*
O16	0.8865 (3)	0.5787 (3)	0.1913 (2)	0.0169 (6)
H16A	0.958 (4)	0.553 (5)	0.180 (3)	0.025*
H16B	0.906 (6)	0.652 (2)	0.216 (3)	0.025*
O17	0.1422 (3)	0.5218 (3)	0.15236 (18)	0.0143 (6)
H17A	0.159 (6)	0.457 (3)	0.157 (3)	0.021*
H17B	0.152 (5)	0.525 (5)	0.1022 (15)	0.021*
O18	0.0721 (3)	0.2527 (3)	0.3772 (2)	0.0168 (6)
H18A	0.044 (5)	0.185 (3)	0.392 (3)	0.025*
H18B	0.058 (6)	0.236 (5)	0.3260 (13)	0.025*
O19	0.5198 (10)	0.0411 (8)	0.0291 (5)	0.038 (2)	0.50
H19A	0.467 (14)	−0.022 (8)	0.044 (9)	0.057*	0.50
H19B	0.584 (12)	0.018 (13)	0.002 (9)	0.057*	0.50
O20	0.3097 (3)	0.0229 (3)	0.3513 (2)	0.0180 (6)
H20A	0.244 (4)	0.018 (5)	0.384 (3)	0.027*
H20B	0.294 (6)	0.063 (4)	0.316 (3)	0.027*
O21	0.8261 (3)	0.3315 (3)	0.3973 (2)	0.0200 (7)
H21A	0.908 (3)	0.324 (5)	0.388 (3)	0.030*
H21B	0.839 (6)	0.382 (4)	0.442 (2)	0.030*
O22	0.9737 (4)	0.8138 (3)	0.2709 (2)	0.0256 (8)
H22A	0.979 (7)	0.854 (5)	0.3195 (18)	0.038*
H22B	0.986 (6)	0.853 (5)	0.232 (3)	0.038*
O23	0.9396 (3)	0.9108 (3)	0.1348 (2)	0.0157 (6)
H23A	0.878 (4)	0.947 (4)	0.149 (3)	0.024*
H23B	1.012 (4)	0.962 (4)	0.124 (3)	0.024*
O24	0.3414 (5)	0.9426 (4)	0.1254 (2)	0.0394 (11)
H24A	0.342 (8)	1.004 (4)	0.160 (3)	0.059*
H24B	0.375 (7)	0.896 (5)	0.148 (4)	0.059*
O25	0.1631 (6)	0.0366 (6)	0.4923 (4)	0.0226 (14)	0.50
O26	−0.0305 (7)	−0.0167 (6)	0.5823 (4)	0.0193 (13)	0.50
O27	−0.0504 (7)	0.1033 (6)	0.4772 (4)	0.0191 (13)	0.50
O28	−0.0613 (7)	−0.1091 (6)	0.4356 (4)	0.0226 (14)	0.50
S1	0.18270 (11)	0.20142 (9)	0.16434 (6)	0.01093 (18)
S2	0.0000	0.0000	0.5000	0.0137 (3)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0100 (17)	0.0091 (18)	0.0111 (18)	0.0008 (14)	0.0041 (15)	0.0022 (15)
C2	0.016 (2)	0.017 (2)	0.0092 (18)	0.0071 (17)	0.0031 (16)	0.0031 (16)
C3	0.0096 (17)	0.0070 (17)	0.0158 (19)	0.0039 (14)	−0.0002 (15)	0.0010 (15)
C4	0.024 (2)	0.016 (2)	0.0123 (19)	0.0143 (18)	0.0016 (17)	0.0005 (16)
C5	0.0122 (18)	0.0121 (19)	0.0111 (18)	0.0037 (15)	0.0027 (15)	0.0002 (15)
C6	0.018 (2)	0.0111 (19)	0.016 (2)	0.0063 (16)	0.0079 (17)	0.0023 (16)
C7	0.0100 (18)	0.0125 (19)	0.0103 (18)	0.0056 (15)	0.0020 (15)	−0.0006 (15)
C8	0.0151 (19)	0.015 (2)	0.0124 (19)	0.0073 (16)	0.0021 (16)	0.0066 (16)
C9	0.0105 (18)	0.0129 (19)	0.0102 (18)	0.0060 (15)	0.0020 (15)	0.0013 (15)
C10	0.020 (2)	0.019 (2)	0.0112 (19)	0.0135 (18)	0.0077 (16)	0.0055 (16)
Cu1	0.0157 (2)	0.0127 (2)	0.0094 (2)	0.0094 (2)	0.00384 (19)	0.00395 (19)
Cu2	0.0180 (3)	0.0114 (2)	0.0137 (2)	0.0090 (2)	0.0091 (2)	0.00556 (19)
Cu3	0.0116 (2)	0.0101 (2)	0.0097 (2)	0.00515 (19)	0.00447 (18)	0.00352 (18)
Cu4	0.0116 (2)	0.0092 (2)	0.0108 (2)	0.00630 (18)	0.00394 (18)	0.00369 (18)
Cu5	0.0120 (2)	0.0129 (2)	0.0093 (2)	0.00761 (19)	0.00493 (18)	0.00459 (18)
Gd1	0.00831 (9)	0.00820 (9)	0.00749 (9)	0.00450 (7)	0.00305 (7)	0.00269 (7)
N1	0.0133 (16)	0.0115 (16)	0.0081 (15)	0.0061 (13)	0.0055 (13)	0.0030 (13)
N2	0.0118 (16)	0.0159 (17)	0.0119 (16)	0.0054 (14)	0.0041 (13)	0.0043 (14)
N3	0.0151 (16)	0.0088 (15)	0.0110 (16)	0.0066 (13)	0.0022 (13)	0.0037 (13)
N4	0.0204 (18)	0.0179 (18)	0.0165 (18)	0.0130 (15)	0.0079 (15)	0.0086 (15)
N5	0.0131 (16)	0.0114 (16)	0.0094 (15)	0.0073 (13)	0.0038 (13)	0.0004 (13)
N6	0.0129 (16)	0.0123 (16)	0.0127 (16)	0.0074 (13)	0.0005 (13)	0.0010 (13)
N7	0.0131 (16)	0.0096 (16)	0.0113 (16)	0.0040 (13)	0.0033 (13)	0.0039 (13)
N8	0.0126 (16)	0.0135 (16)	0.0096 (15)	0.0058 (13)	0.0052 (13)	0.0021 (13)
N9	0.0110 (15)	0.0105 (15)	0.0107 (15)	0.0088 (13)	0.0011 (13)	0.0039 (13)
N10	0.0147 (17)	0.0115 (17)	0.0200 (18)	0.0071 (14)	0.0050 (14)	0.0042 (14)
O1	0.0132 (14)	0.0152 (14)	0.0104 (13)	0.0109 (12)	0.0064 (11)	0.0059 (11)
O2	0.0162 (14)	0.0146 (14)	0.0095 (13)	0.0098 (12)	0.0025 (11)	0.0053 (11)
O3	0.0190 (15)	0.0165 (15)	0.0105 (14)	0.0109 (12)	0.0081 (12)	0.0085 (12)
O4	0.0142 (14)	0.0115 (13)	0.0123 (14)	0.0079 (11)	0.0055 (11)	0.0034 (11)
O5	0.0122 (13)	0.0129 (14)	0.0099 (13)	0.0073 (11)	0.0078 (11)	0.0041 (11)
O6	0.0169 (14)	0.0127 (14)	0.0103 (13)	0.0072 (12)	0.0072 (11)	0.0046 (11)
O7	0.0136 (14)	0.0121 (14)	0.0128 (14)	0.0075 (11)	0.0091 (11)	0.0091 (11)
O8	0.0139 (14)	0.0111 (14)	0.0168 (15)	0.0066 (11)	0.0062 (12)	0.0063 (12)
O9	0.0176 (14)	0.0119 (14)	0.0110 (13)	0.0117 (12)	0.0062 (11)	0.0051 (11)
O10	0.0176 (15)	0.0157 (14)	0.0110 (14)	0.0118 (12)	0.0059 (11)	0.0040 (11)
O11	0.0149 (14)	0.0136 (14)	0.0139 (14)	0.0043 (12)	−0.0006 (12)	0.0056 (12)
O12	0.0131 (14)	0.0114 (14)	0.0109 (13)	0.0031 (11)	0.0001 (11)	0.0032 (11)
O13	0.0203 (16)	0.0161 (15)	0.0109 (14)	0.0040 (12)	0.0018 (12)	−0.0002 (12)
O14	0.0133 (15)	0.0287 (18)	0.0146 (15)	0.0049 (13)	0.0022 (12)	0.0019 (13)
O15	0.0115 (14)	0.0196 (16)	0.0104 (14)	0.0046 (12)	0.0046 (11)	0.0069 (12)
O16	0.0156 (15)	0.0180 (16)	0.0182 (16)	0.0069 (13)	0.0048 (13)	0.0019 (13)
O17	0.0191 (15)	0.0162 (15)	0.0096 (14)	0.0073 (13)	0.0010 (12)	0.0040 (12)
O18	0.0173 (15)	0.0178 (16)	0.0153 (15)	0.0052 (13)	0.0029 (13)	0.0024 (13)
O19	0.030 (4)	0.051 (6)	0.023 (4)	−0.004 (4)	0.005 (3)	0.006 (4)
O20	0.0184 (16)	0.0172 (16)	0.0211 (17)	0.0057 (13)	0.0070 (13)	0.0082 (13)
O21	0.0172 (16)	0.0308 (19)	0.0140 (15)	0.0139 (15)	0.0002 (13)	−0.0015 (13)
O22	0.0332 (19)	0.031 (2)	0.0196 (17)	0.0192 (17)	−0.0003 (16)	0.0064 (15)
O23	0.0125 (15)	0.0154 (15)	0.0201 (16)	0.0056 (12)	0.0052 (13)	0.0016 (13)
O24	0.075 (3)	0.031 (2)	0.0205 (19)	0.038 (2)	−0.0148 (19)	−0.0066 (16)
O25	0.010 (3)	0.037 (4)	0.024 (3)	0.005 (3)	0.005 (3)	0.016 (3)
O26	0.024 (3)	0.023 (3)	0.014 (3)	0.008 (3)	0.003 (3)	0.011 (3)
O27	0.022 (3)	0.016 (3)	0.025 (3)	0.011 (3)	0.004 (3)	0.010 (3)
O28	0.031 (4)	0.011 (3)	0.021 (3)	−0.002 (3)	0.005 (3)	0.002 (3)
S1	0.0110 (4)	0.0122 (5)	0.0094 (4)	0.0025 (4)	0.0014 (4)	0.0025 (4)
S2	0.0138 (7)	0.0130 (7)	0.0156 (7)	0.0059 (6)	−0.0005 (6)	0.0025 (6)

Geometric parameters (Å, º)

C1—N1	1.288 (5)	Gd1—O12	2.452 (3)
C1—O2	1.292 (5)	Gd1—S1	3.0789 (12)
C1—C2	1.505 (5)	N1—O1	1.397 (4)
C2—N2	1.484 (5)	N2—H2A	0.9200
C2—H2C	0.9900	N2—H2B	0.9200
C2—H2D	0.9900	N3—O3	1.394 (4)
C3—N3	1.288 (5)	N4—H4A	0.9200
C3—O4	1.291 (5)	N4—H4B	0.9200
C3—C4	1.495 (6)	N5—O5	1.397 (4)
C4—N4	1.489 (5)	N6—H6A	0.9200
C4—H4C	0.9900	N6—H6B	0.9200
C4—H4D	0.9900	N7—O7	1.391 (4)
C5—N5	1.290 (5)	N8—H8A	0.9200
C5—O6	1.295 (5)	N8—H8B	0.9200
C5—C6	1.510 (5)	N9—O9	1.396 (4)
C6—N6	1.483 (5)	N10—H10A	0.9200
C6—H6C	0.9900	N10—H10B	0.9200
C6—H6D	0.9900	O11—S1	1.499 (3)
C7—N7	1.293 (5)	O12—S1	1.502 (3)
C7—O8	1.299 (5)	O13—S1	1.461 (3)
C7—C8	1.500 (5)	O14—S1	1.454 (3)
C8—N8	1.492 (5)	O15—H15A	0.829 (19)
C8—H8C	0.9900	O15—H15B	0.843 (19)
C8—H8D	0.9900	O16—H16A	0.827 (19)
C9—O10	1.287 (5)	O16—H16B	0.841 (19)
C9—N9	1.289 (5)	O17—H17A	0.817 (19)
C9—C10	1.499 (5)	O17—H17B	0.827 (19)
C10—N10	1.476 (5)	O18—H18A	0.836 (19)
C10—H10C	0.9900	O18—H18B	0.819 (19)
C10—H10D	0.9900	O19—H19A	0.85 (2)
Cu1—N3	1.918 (3)	O19—H19B	0.84 (2)
Cu1—O1	1.922 (3)	O20—H20A	0.828 (19)
Cu1—O2	1.963 (3)	O20—H20B	0.835 (19)
Cu1—N4	1.992 (3)	O21—H21A	0.833 (19)
Cu2—N5	1.899 (3)	O21—H21B	0.831 (19)
Cu2—O3	1.922 (3)	O22—H22A	0.84 (2)
Cu2—O4	1.937 (3)	O22—H22B	0.838 (19)
Cu2—N6	2.014 (3)	O23—H23A	0.829 (19)
Cu2—O19	2.384 (9)	O23—H23B	0.833 (19)
Cu3—N7	1.900 (3)	O24—H24A	0.83 (2)
Cu3—O6	1.939 (3)	O24—H24B	0.83 (2)
Cu3—O5	1.943 (3)	O25—S2	1.525 (6)
Cu3—N8	2.007 (3)	O25—O26^i	1.676 (9)
Cu4—N9	1.892 (3)	O25—O28^i	1.786 (9)
Cu4—O8	1.934 (3)	O26—S2	1.408 (6)
Cu4—O7	1.940 (3)	O26—O28^i	1.566 (9)
Cu4—N10	2.009 (3)	O26—O27^i	1.631 (9)
Cu5—N1	1.893 (3)	O26—O25^i	1.676 (9)
Cu5—O9	1.930 (3)	O27—S2	1.497 (6)
Cu5—O10	1.949 (3)	O27—O26^i	1.631 (9)
Cu5—N2	2.003 (3)	O27—O28^i	1.734 (9)
Cu5—O18	2.358 (3)	O28—S2	1.469 (6)
Gd1—O1	2.378 (3)	O28—O26^i	1.566 (9)
Gd1—O9	2.384 (3)	O28—O27^i	1.734 (9)
Gd1—O3	2.390 (3)	O28—O25^i	1.786 (9)
Gd1—O15	2.398 (3)	S2—O26^i	1.408 (6)
Gd1—O7	2.417 (3)	S2—O28^i	1.469 (6)
Gd1—O5	2.434 (3)	S2—O27^i	1.497 (6)
Gd1—O11	2.449 (3)	S2—O25^i	1.525 (6)
N1—C1—O2	124.8 (4)	C3—N3—Cu1	118.4 (3)
N1—C1—C2	114.1 (3)	O3—N3—Cu1	125.0 (2)
O2—C1—C2	121.1 (3)	C4—N4—Cu1	110.4 (2)
N2—C2—C1	109.9 (3)	C4—N4—H4A	109.6
N2—C2—H2C	109.7	Cu1—N4—H4A	109.6
C1—C2—H2C	109.7	C4—N4—H4B	109.6
N2—C2—H2D	109.7	Cu1—N4—H4B	109.6
C1—C2—H2D	109.7	H4A—N4—H4B	108.1
H2C—C2—H2D	108.2	C5—N5—O5	115.2 (3)
N3—C3—O4	124.0 (4)	C5—N5—Cu2	118.8 (3)
N3—C3—C4	115.1 (4)	O5—N5—Cu2	125.7 (2)
O4—C3—C4	120.8 (3)	C6—N6—Cu2	109.6 (2)
N4—C4—C3	111.5 (3)	C6—N6—H6A	109.8
N4—C4—H4C	109.3	Cu2—N6—H6A	109.8
C3—C4—H4C	109.3	C6—N6—H6B	109.8
N4—C4—H4D	109.3	Cu2—N6—H6B	109.8
C3—C4—H4D	109.3	H6A—N6—H6B	108.2
H4C—C4—H4D	108.0	C7—N7—O7	115.7 (3)
N5—C5—O6	124.0 (4)	C7—N7—Cu3	119.1 (3)
N5—C5—C6	115.5 (4)	O7—N7—Cu3	125.1 (2)
O6—C5—C6	120.5 (3)	C8—N8—Cu3	109.7 (2)
N6—C6—C5	110.7 (3)	C8—N8—H8A	109.7
N6—C6—H6C	109.5	Cu3—N8—H8A	109.7
C5—C6—H6C	109.5	C8—N8—H8B	109.7
N6—C6—H6D	109.5	Cu3—N8—H8B	109.7
C5—C6—H6D	109.5	H8A—N8—H8B	108.2
H6C—C6—H6D	108.1	C9—N9—O9	115.4 (3)
N7—C7—O8	123.7 (4)	C9—N9—Cu4	119.5 (3)
N7—C7—C8	115.4 (3)	O9—N9—Cu4	124.3 (2)
O8—C7—C8	120.8 (3)	C10—N10—Cu4	110.2 (2)
N8—C8—C7	109.7 (3)	C10—N10—H10A	109.6
N8—C8—H8C	109.7	Cu4—N10—H10A	109.6
C7—C8—H8C	109.7	C10—N10—H10B	109.6
N8—C8—H8D	109.7	Cu4—N10—H10B	109.6
C7—C8—H8D	109.7	H10A—N10—H10B	108.1
H8C—C8—H8D	108.2	N1—O1—Cu1	106.2 (2)
O10—C9—N9	124.5 (4)	N1—O1—Gd1	125.7 (2)
O10—C9—C10	120.4 (3)	Cu1—O1—Gd1	126.08 (13)
N9—C9—C10	115.0 (3)	C1—O2—Cu1	104.7 (2)
N10—C10—C9	111.0 (3)	N3—O3—Cu2	108.4 (2)
N10—C10—H10C	109.4	N3—O3—Gd1	122.5 (2)
C9—C10—H10C	109.4	Cu2—O3—Gd1	128.98 (13)
N10—C10—H10D	109.4	C3—O4—Cu2	107.2 (2)
C9—C10—H10D	109.4	N5—O5—Cu3	107.3 (2)
H10C—C10—H10D	108.0	N5—O5—Gd1	123.8 (2)
N3—Cu1—O1	90.87 (12)	Cu3—O5—Gd1	123.85 (13)
N3—Cu1—O2	175.99 (13)	C5—O6—Cu3	107.0 (2)
O1—Cu1—O2	85.77 (11)	N7—O7—Cu4	107.7 (2)
N3—Cu1—N4	83.56 (14)	N7—O7—Gd1	124.1 (2)
O1—Cu1—N4	174.05 (14)	Cu4—O7—Gd1	125.92 (13)
O2—Cu1—N4	99.71 (13)	C7—O8—Cu4	107.4 (2)
N5—Cu2—O3	89.47 (13)	N9—O9—Cu5	107.9 (2)
N5—Cu2—O4	172.78 (13)	N9—O9—Gd1	125.5 (2)
O3—Cu2—O4	84.78 (12)	Cu5—O9—Gd1	126.56 (13)
N5—Cu2—N6	83.36 (14)	C9—O10—Cu5	106.9 (2)
O3—Cu2—N6	171.16 (13)	S1—O11—Gd1	99.67 (14)
O4—Cu2—N6	101.95 (12)	S1—O12—Gd1	99.47 (14)
N5—Cu2—O19	91.3 (2)	Gd1—O15—H15A	117 (4)
O3—Cu2—O19	96.8 (2)	Gd1—O15—H15B	116 (3)
O4—Cu2—O19	93.7 (2)	H15A—O15—H15B	106 (5)
N6—Cu2—O19	88.6 (2)	H16A—O16—H16B	115 (5)
N7—Cu3—O6	174.10 (14)	H17A—O17—H17B	103 (5)
N7—Cu3—O5	91.33 (13)	Cu5—O18—H18A	120 (4)
O6—Cu3—O5	84.72 (11)	Cu5—O18—H18B	121 (4)
N7—Cu3—N8	82.58 (14)	H18A—O18—H18B	104 (5)
O6—Cu3—N8	100.68 (12)	Cu2—O19—H19A	117 (10)
O5—Cu3—N8	169.71 (13)	Cu2—O19—H19B	85 (10)
N9—Cu4—O8	172.80 (13)	H19A—O19—H19B	106 (10)
N9—Cu4—O7	89.44 (12)	H20A—O20—H20B	108 (5)
O8—Cu4—O7	85.18 (11)	H21A—O21—H21B	104 (5)
N9—Cu4—N10	83.29 (14)	H22A—O22—H22B	117 (6)
O8—Cu4—N10	100.90 (13)	H23A—O23—H23B	108 (5)
O7—Cu4—N10	165.58 (14)	H24A—O24—H24B	110 (7)
N1—Cu5—O9	89.27 (13)	S2—O25—O26^i	51.9 (3)
N1—Cu5—O10	164.04 (14)	S2—O25—O28^i	52.0 (3)
O9—Cu5—O10	85.19 (11)	O26^i—O25—O28^i	88.4 (4)
N1—Cu5—N2	82.98 (14)	S2—O26—O28^i	58.9 (3)
O9—Cu5—N2	171.77 (13)	S2—O26—O27^i	58.5 (3)
O10—Cu5—N2	101.56 (13)	O28^i—O26—O27^i	97.6 (5)
N1—Cu5—O18	104.10 (13)	S2—O26—O25^i	58.5 (3)
O9—Cu5—O18	93.75 (12)	O28^i—O26—O25^i	95.6 (5)
O10—Cu5—O18	91.21 (12)	O27^i—O26—O25^i	92.7 (5)
N2—Cu5—O18	90.84 (13)	S2—O27—O26^i	53.3 (3)
O1—Gd1—O9	71.39 (9)	S2—O27—O28^i	53.5 (3)
O1—Gd1—O3	73.93 (9)	O26^i—O27—O28^i	91.6 (4)
O9—Gd1—O3	144.53 (9)	S2—O28—O26^i	55.2 (3)
O1—Gd1—O15	75.79 (10)	S2—O28—O27^i	55.0 (3)
O9—Gd1—O15	100.54 (10)	O26^i—O28—O27^i	93.4 (5)
O3—Gd1—O15	77.69 (10)	S2—O28—O25^i	54.8 (3)
O1—Gd1—O7	131.69 (10)	O26^i—O28—O25^i	91.7 (5)
O9—Gd1—O7	70.63 (9)	O27^i—O28—O25^i	85.7 (4)
O3—Gd1—O7	142.29 (9)	O14—S1—O13	111.29 (18)
O15—Gd1—O7	82.96 (10)	O14—S1—O11	111.16 (18)
O1—Gd1—O5	139.87 (9)	O13—S1—O11	111.29 (18)
O9—Gd1—O5	143.49 (9)	O14—S1—O12	109.85 (18)
O3—Gd1—O5	71.44 (9)	O13—S1—O12	109.95 (17)
O15—Gd1—O5	77.59 (10)	O11—S1—O12	102.99 (17)
O7—Gd1—O5	72.97 (9)	O14—S1—Gd1	118.79 (14)
O1—Gd1—O11	77.78 (10)	O13—S1—Gd1	129.90 (13)
O9—Gd1—O11	89.09 (10)	O11—S1—Gd1	51.64 (12)
O3—Gd1—O11	76.49 (10)	O12—S1—Gd1	51.76 (11)
O15—Gd1—O11	147.13 (10)	O26^i—S2—O26	180.000 (2)
O7—Gd1—O11	129.66 (9)	O26^i—S2—O28^i	114.1 (4)
O5—Gd1—O11	112.42 (10)	O26—S2—O28^i	65.9 (4)
O1—Gd1—O12	128.79 (9)	O26^i—S2—O28	65.9 (4)
O9—Gd1—O12	83.76 (10)	O26—S2—O28	114.1 (4)
O3—Gd1—O12	113.23 (10)	O28^i—S2—O28	180.000 (1)
O15—Gd1—O12	154.38 (10)	O26^i—S2—O27^i	111.8 (4)
O7—Gd1—O12	74.62 (9)	O26—S2—O27^i	68.2 (4)
O5—Gd1—O12	84.04 (9)	O28^i—S2—O27^i	108.4 (4)
O11—Gd1—O12	57.27 (9)	O28—S2—O27^i	71.6 (4)
O1—Gd1—S1	102.59 (7)	O26^i—S2—O27	68.2 (4)
O9—Gd1—S1	83.57 (8)	O26—S2—O27	111.8 (4)
O3—Gd1—S1	97.01 (8)	O28^i—S2—O27	71.6 (4)
O15—Gd1—S1	174.68 (8)	O28—S2—O27	108.4 (4)
O7—Gd1—S1	101.67 (7)	O27^i—S2—O27	179.998 (2)
O5—Gd1—S1	101.15 (7)	O26^i—S2—O25^i	110.4 (4)
O11—Gd1—S1	28.69 (7)	O26—S2—O25^i	69.6 (4)
O12—Gd1—S1	28.76 (7)	O28^i—S2—O25^i	106.8 (4)
C1—N1—O1	116.0 (3)	O28—S2—O25^i	73.2 (4)
C1—N1—Cu5	119.7 (3)	O27^i—S2—O25^i	104.8 (3)
O1—N1—Cu5	123.8 (2)	O27—S2—O25^i	75.2 (3)
C2—N2—Cu5	109.5 (2)	O26^i—S2—O25	69.6 (4)
C2—N2—H2A	109.8	O26—S2—O25	110.4 (4)
Cu5—N2—H2A	109.8	O28^i—S2—O25	73.2 (4)
C2—N2—H2B	109.8	O28—S2—O25	106.8 (4)
Cu5—N2—H2B	109.8	O27^i—S2—O25	75.2 (3)
H2A—N2—H2B	108.2	O27—S2—O25	104.8 (3)
C3—N3—O3	114.8 (3)	O25^i—S2—O25	179.999 (1)
N1—C1—C2—N2	19.4 (5)	C6—C5—O6—Cu3	−168.7 (3)
O2—C1—C2—N2	−160.9 (4)	O5—Cu3—O6—C5	−11.4 (3)
N3—C3—C4—N4	−9.7 (5)	N8—Cu3—O6—C5	177.5 (3)
O4—C3—C4—N4	169.1 (4)	C7—N7—O7—Cu4	3.1 (4)
N5—C5—C6—N6	6.5 (5)	Cu3—N7—O7—Cu4	−171.48 (19)
O6—C5—C6—N6	−174.7 (4)	C7—N7—O7—Gd1	166.8 (3)
N7—C7—C8—N8	−10.4 (5)	Cu3—N7—O7—Gd1	−7.8 (4)
O8—C7—C8—N8	170.1 (4)	N9—Cu4—O7—N7	−179.2 (2)
O10—C9—C10—N10	169.5 (4)	O8—Cu4—O7—N7	−4.0 (2)
N9—C9—C10—N10	−10.7 (5)	N10—Cu4—O7—N7	−119.7 (5)
O2—C1—N1—O1	−0.9 (6)	N9—Cu4—O7—Gd1	17.44 (18)
C2—C1—N1—O1	178.8 (3)	O8—Cu4—O7—Gd1	−167.35 (18)
O2—C1—N1—Cu5	171.4 (3)	N10—Cu4—O7—Gd1	77.0 (6)
C2—C1—N1—Cu5	−8.9 (5)	O1—Gd1—O7—N7	139.7 (2)
O9—Cu5—N1—C1	174.6 (3)	O9—Gd1—O7—N7	179.7 (3)
O10—Cu5—N1—C1	105.0 (5)	O3—Gd1—O7—N7	16.6 (4)
N2—Cu5—N1—C1	−2.7 (3)	O15—Gd1—O7—N7	75.9 (3)
O18—Cu5—N1—C1	−91.8 (3)	O5—Gd1—O7—N7	−3.2 (3)
O9—Cu5—N1—O1	−13.7 (3)	O11—Gd1—O7—N7	−108.6 (3)
O10—Cu5—N1—O1	−83.3 (6)	O12—Gd1—O7—N7	−91.6 (3)
N2—Cu5—N1—O1	169.1 (3)	S1—Gd1—O7—N7	−101.5 (3)
O18—Cu5—N1—O1	80.0 (3)	O1—Gd1—O7—Cu4	−59.6 (2)
C1—C2—N2—Cu5	−20.4 (4)	O9—Gd1—O7—Cu4	−19.57 (16)
N1—Cu5—N2—C2	13.2 (3)	O3—Gd1—O7—Cu4	177.35 (13)
O10—Cu5—N2—C2	−151.3 (3)	O15—Gd1—O7—Cu4	−123.38 (18)
O18—Cu5—N2—C2	117.3 (3)	O5—Gd1—O7—Cu4	157.50 (19)
O4—C3—N3—O3	−1.5 (6)	O11—Gd1—O7—Cu4	52.2 (2)
C4—C3—N3—O3	177.3 (3)	O12—Gd1—O7—Cu4	69.12 (17)
O4—C3—N3—Cu1	−166.6 (3)	S1—Gd1—O7—Cu4	59.26 (17)
C4—C3—N3—Cu1	12.2 (5)	N7—C7—O8—Cu4	−4.0 (5)
O1—Cu1—N3—C3	173.9 (3)	C8—C7—O8—Cu4	175.5 (3)
N4—Cu1—N3—C3	−8.3 (3)	O7—Cu4—O8—C7	4.3 (3)
O1—Cu1—N3—O3	10.4 (3)	N10—Cu4—O8—C7	171.1 (3)
N4—Cu1—N3—O3	−171.7 (3)	C9—N9—O9—Cu5	0.1 (4)
C3—C4—N4—Cu1	3.1 (4)	Cu4—N9—O9—Cu5	169.67 (18)
N3—Cu1—N4—C4	2.1 (3)	C9—N9—O9—Gd1	177.1 (3)
O2—Cu1—N4—C4	179.7 (3)	Cu4—N9—O9—Gd1	−13.2 (4)
O6—C5—N5—O5	−0.5 (6)	N1—Cu5—O9—N9	−163.2 (2)
C6—C5—N5—O5	178.2 (3)	O10—Cu5—O9—N9	1.8 (2)
O6—C5—N5—Cu2	−173.8 (3)	O18—Cu5—O9—N9	92.7 (2)
C6—C5—N5—Cu2	5.0 (5)	N1—Cu5—O9—Gd1	19.71 (19)
O3—Cu2—N5—C5	164.3 (3)	O10—Cu5—O9—Gd1	−175.28 (18)
N6—Cu2—N5—C5	−10.5 (3)	O18—Cu5—O9—Gd1	−84.38 (17)
O19—Cu2—N5—C5	−99.0 (4)	O1—Gd1—O9—N9	167.0 (3)
O3—Cu2—N5—O5	−8.2 (3)	O3—Gd1—O9—N9	179.6 (2)
N6—Cu2—N5—O5	176.9 (3)	O15—Gd1—O9—N9	96.1 (3)
O19—Cu2—N5—O5	88.5 (4)	O7—Gd1—O9—N9	17.5 (3)
C5—C6—N6—Cu2	−13.7 (4)	O5—Gd1—O9—N9	12.8 (4)
N5—Cu2—N6—C6	13.0 (3)	O11—Gd1—O9—N9	−115.5 (3)
O4—Cu2—N6—C6	−162.0 (3)	O12—Gd1—O9—N9	−58.4 (3)
O19—Cu2—N6—C6	104.5 (3)	S1—Gd1—O9—N9	−87.3 (3)
O8—C7—N7—O7	0.6 (6)	O1—Gd1—O9—Cu5	−16.40 (16)
C8—C7—N7—O7	−178.8 (3)	O3—Gd1—O9—Cu5	−3.8 (3)
O8—C7—N7—Cu3	175.6 (3)	O15—Gd1—O9—Cu5	−87.37 (18)
C8—C7—N7—Cu3	−3.9 (5)	O7—Gd1—O9—Cu5	−166.0 (2)
O5—Cu3—N7—C7	−159.6 (3)	O5—Gd1—O9—Cu5	−170.70 (13)
N8—Cu3—N7—C7	12.1 (3)	O11—Gd1—O9—Cu5	61.00 (18)
O5—Cu3—N7—O7	14.8 (3)	O12—Gd1—O9—Cu5	118.17 (18)
N8—Cu3—N7—O7	−173.5 (3)	S1—Gd1—O9—Cu5	89.23 (17)
C7—C8—N8—Cu3	18.6 (4)	N9—C9—O10—Cu5	4.6 (5)
N7—Cu3—N8—C8	−16.6 (3)	C10—C9—O10—Cu5	−175.6 (3)
O6—Cu3—N8—C8	158.4 (3)	N1—Cu5—O10—C9	66.9 (6)
O5—Cu3—N8—C8	37.5 (8)	O9—Cu5—O10—C9	−3.2 (3)
O10—C9—N9—O9	−3.4 (6)	N2—Cu5—O10—C9	172.0 (3)
C10—C9—N9—O9	176.8 (3)	O18—Cu5—O10—C9	−96.9 (3)
O10—C9—N9—Cu4	−173.5 (3)	O1—Gd1—O11—S1	149.37 (16)
C10—C9—N9—Cu4	6.6 (5)	O9—Gd1—O11—S1	78.22 (15)
O7—Cu4—N9—C9	166.8 (3)	O3—Gd1—O11—S1	−134.48 (16)
N10—Cu4—N9—C9	−0.7 (3)	O15—Gd1—O11—S1	−173.57 (14)
O7—Cu4—N9—O9	−2.4 (3)	O7—Gd1—O11—S1	14.6 (2)
N10—Cu4—N9—O9	−169.9 (3)	O5—Gd1—O11—S1	−71.43 (16)
C9—C10—N10—Cu4	9.6 (4)	O12—Gd1—O11—S1	−4.94 (12)
N9—Cu4—N10—C10	−5.3 (3)	O1—Gd1—O12—S1	−28.01 (19)
O8—Cu4—N10—C10	−179.3 (3)	O9—Gd1—O12—S1	−88.02 (14)
O7—Cu4—N10—C10	−65.5 (6)	O3—Gd1—O12—S1	59.61 (16)
C1—N1—O1—Cu1	12.1 (4)	O15—Gd1—O12—S1	170.60 (17)
Cu5—N1—O1—Cu1	−159.95 (19)	O7—Gd1—O12—S1	−159.60 (16)
C1—N1—O1—Gd1	176.8 (3)	O5—Gd1—O12—S1	126.46 (15)
Cu5—N1—O1—Gd1	4.8 (4)	O11—Gd1—O12—S1	4.93 (12)
N3—Cu1—O1—N1	164.2 (2)	Gd1—O11—S1—O14	−110.62 (17)
O2—Cu1—O1—N1	−13.6 (2)	Gd1—O11—S1—O13	124.72 (16)
N3—Cu1—O1—Gd1	−0.48 (18)	Gd1—O11—S1—O12	6.97 (17)
O2—Cu1—O1—Gd1	−178.29 (18)	Gd1—O12—S1—O14	111.55 (16)
O9—Gd1—O1—N1	6.1 (3)	Gd1—O12—S1—O13	−125.64 (15)
O3—Gd1—O1—N1	−166.4 (3)	Gd1—O12—S1—O11	−6.95 (17)
O15—Gd1—O1—N1	112.6 (3)	O1—Gd1—S1—O14	64.51 (17)
O7—Gd1—O1—N1	45.8 (3)	O9—Gd1—S1—O14	−4.74 (17)
O5—Gd1—O1—N1	162.5 (2)	O3—Gd1—S1—O14	139.54 (17)
O11—Gd1—O1—N1	−87.1 (3)	O7—Gd1—S1—O14	−73.40 (17)
O12—Gd1—O1—N1	−59.2 (3)	O5—Gd1—S1—O14	−148.08 (17)
S1—Gd1—O1—N1	−72.6 (3)	O11—Gd1—S1—O14	95.2 (2)
O9—Gd1—O1—Cu1	167.9 (2)	O12—Gd1—S1—O14	−93.5 (2)
O3—Gd1—O1—Cu1	−4.59 (16)	O1—Gd1—S1—O13	−117.34 (18)
O15—Gd1—O1—Cu1	−85.61 (17)	O9—Gd1—S1—O13	173.41 (18)
O7—Gd1—O1—Cu1	−152.36 (14)	O3—Gd1—S1—O13	−42.31 (18)
O5—Gd1—O1—Cu1	−35.7 (3)	O7—Gd1—S1—O13	104.76 (18)
O11—Gd1—O1—Cu1	74.67 (17)	O5—Gd1—S1—O13	30.07 (18)
O12—Gd1—O1—Cu1	102.57 (17)	O11—Gd1—S1—O13	−86.7 (2)
S1—Gd1—O1—Cu1	89.18 (16)	O12—Gd1—S1—O13	84.7 (2)
N1—C1—O2—Cu1	−10.4 (5)	O1—Gd1—S1—O11	−30.68 (16)
C2—C1—O2—Cu1	169.9 (3)	O9—Gd1—S1—O11	−99.93 (16)
O1—Cu1—O2—C1	13.1 (3)	O3—Gd1—S1—O11	44.35 (16)
N4—Cu1—O2—C1	−164.6 (3)	O7—Gd1—S1—O11	−168.59 (16)
C3—N3—O3—Cu2	−5.3 (4)	O5—Gd1—S1—O11	116.73 (16)
Cu1—N3—O3—Cu2	158.63 (19)	O12—Gd1—S1—O11	171.3 (2)
C3—N3—O3—Gd1	179.0 (3)	O1—Gd1—S1—O12	157.97 (15)
Cu1—N3—O3—Gd1	−17.0 (4)	O9—Gd1—S1—O12	88.72 (16)
N5—Cu2—O3—N3	−168.5 (2)	O3—Gd1—S1—O12	−127.00 (16)
O4—Cu2—O3—N3	7.1 (2)	O7—Gd1—S1—O12	20.07 (16)
O19—Cu2—O3—N3	100.3 (3)	O5—Gd1—S1—O12	−54.61 (16)
N5—Cu2—O3—Gd1	6.7 (2)	O11—Gd1—S1—O12	−171.3 (2)
O4—Cu2—O3—Gd1	−177.62 (19)	O27^i—O26—S2—O28^i	−123.5 (4)
O19—Cu2—O3—Gd1	−84.5 (3)	O25^i—O26—S2—O28^i	120.3 (5)
O1—Gd1—O3—N3	11.4 (3)	O28^i—O26—S2—O28	180.000 (1)
O9—Gd1—O3—N3	−1.0 (4)	O27^i—O26—S2—O28	56.5 (4)
O15—Gd1—O3—N3	90.0 (3)	O25^i—O26—S2—O28	−59.7 (5)
O7—Gd1—O3—N3	150.8 (2)	O28^i—O26—S2—O27^i	123.5 (4)
O5—Gd1—O3—N3	170.8 (3)	O25^i—O26—S2—O27^i	−116.3 (4)
O11—Gd1—O3—N3	−69.5 (3)	O28^i—O26—S2—O27	−56.5 (4)
O12—Gd1—O3—N3	−114.5 (3)	O27^i—O26—S2—O27	180.000 (3)
S1—Gd1—O3—N3	−89.7 (3)	O25^i—O26—S2—O27	63.7 (4)
O1—Gd1—O3—Cu2	−163.3 (2)	O28^i—O26—S2—O25^i	−120.3 (5)
O9—Gd1—O3—Cu2	−175.68 (14)	O27^i—O26—S2—O25^i	116.3 (4)
O15—Gd1—O3—Cu2	−84.74 (19)	O28^i—O26—S2—O25	59.7 (5)
O7—Gd1—O3—Cu2	−23.9 (3)	O27^i—O26—S2—O25	−63.7 (4)
O5—Gd1—O3—Cu2	−3.88 (17)	O25^i—O26—S2—O25	180.000 (2)
O11—Gd1—O3—Cu2	115.8 (2)	O27^i—O28—S2—O26^i	125.2 (4)
O12—Gd1—O3—Cu2	70.9 (2)	O25^i—O28—S2—O26^i	−122.3 (4)
S1—Gd1—O3—Cu2	95.57 (18)	O26^i—O28—S2—O26	180.0
N3—C3—O4—Cu2	7.3 (5)	O27^i—O28—S2—O26	−54.8 (4)
C4—C3—O4—Cu2	−171.4 (3)	O25^i—O28—S2—O26	57.7 (4)
O3—Cu2—O4—C3	−7.7 (3)	O26^i—O28—S2—O27^i	−125.2 (4)
N6—Cu2—O4—C3	166.5 (3)	O25^i—O28—S2—O27^i	112.5 (4)
O19—Cu2—O4—C3	−104.1 (3)	O26^i—O28—S2—O27	54.8 (4)
C5—N5—O5—Cu3	−9.3 (4)	O27^i—O28—S2—O27	179.998 (2)
Cu2—N5—O5—Cu3	163.48 (19)	O25^i—O28—S2—O27	−67.5 (4)
C5—N5—O5—Gd1	−165.0 (3)	O26^i—O28—S2—O25^i	122.3 (4)
Cu2—N5—O5—Gd1	7.7 (4)	O27^i—O28—S2—O25^i	−112.5 (4)
N7—Cu3—O5—N5	−173.2 (2)	O26^i—O28—S2—O25	−57.7 (4)
O6—Cu3—O5—N5	11.2 (2)	O27^i—O28—S2—O25	67.5 (4)
N8—Cu3—O5—N5	133.4 (7)	O25^i—O28—S2—O25	180.001 (1)
N7—Cu3—O5—Gd1	−17.41 (17)	O28^i—O27—S2—O26^i	−126.6 (4)
O6—Cu3—O5—Gd1	166.97 (16)	O26^i—O27—S2—O26	180.000 (3)
N8—Cu3—O5—Gd1	−70.9 (8)	O28^i—O27—S2—O26	53.4 (4)
O1—Gd1—O5—N5	29.5 (3)	O26^i—O27—S2—O28^i	126.6 (4)
O9—Gd1—O5—N5	169.9 (2)	O26^i—O27—S2—O28	−53.4 (4)
O3—Gd1—O5—N5	−2.1 (2)	O28^i—O27—S2—O28	180.000 (2)
O15—Gd1—O5—N5	78.9 (3)	O26^i—O27—S2—O25^i	−119.6 (4)
O7—Gd1—O5—N5	165.3 (3)	O28^i—O27—S2—O25^i	113.8 (4)
O11—Gd1—O5—N5	−68.2 (3)	O26^i—O27—S2—O25	60.4 (4)
O12—Gd1—O5—N5	−119.0 (3)	O28^i—O27—S2—O25	−66.2 (4)
S1—Gd1—O5—N5	−95.8 (3)	O28^i—O25—S2—O26^i	124.5 (4)
O1—Gd1—O5—Cu3	−122.28 (16)	O26^i—O25—S2—O26	180.000 (2)
O9—Gd1—O5—Cu3	18.1 (3)	O28^i—O25—S2—O26	−55.5 (4)
O3—Gd1—O5—Cu3	−153.90 (18)	O26^i—O25—S2—O28^i	−124.5 (4)
O15—Gd1—O5—Cu3	−72.91 (16)	O26^i—O25—S2—O28	55.5 (4)
O7—Gd1—O5—Cu3	13.44 (14)	O28^i—O25—S2—O28	180.0
O11—Gd1—O5—Cu3	140.00 (14)	O26^i—O25—S2—O27^i	120.5 (4)
O12—Gd1—O5—Cu3	89.14 (16)	O28^i—O25—S2—O27^i	−114.9 (4)
S1—Gd1—O5—Cu3	112.37 (14)	O26^i—O25—S2—O27	−59.5 (4)
N5—C5—O6—Cu3	9.9 (5)	O28^i—O25—S2—O27	65.1 (4)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O15^ii	0.92	2.05	2.934 (5)	162
N2—H2B···O27	0.92	2.53	3.406 (8)	159
N2—H2B···O28^i	0.92	2.04	2.835 (7)	144
N4—H4B···O2^iii	0.92	2.31	3.165 (5)	155
N4—H4A···O25^iii	0.92	1.97	2.765 (7)	143
N4—H4A···O27^iv	0.92	2.15	3.007 (7)	155
N6—H6A···O13^iv	0.92	2.21	3.127 (5)	174
N6—H6B···O24^v	0.92	2.18	2.948 (5)	140
N8—H8B···O12^v	0.92	2.03	2.933 (4)	168
N8—H8A···O23	0.92	2.17	3.008 (5)	152
N10—H10A···O20^vi	0.92	2.22	2.969 (5)	138
N10—H10B···O22^vii	0.92	2.12	2.914 (5)	145
O15—H15B···O16	0.84 (2)	1.87 (2)	2.700 (4)	170 (5)
O15—H15A···O21	0.83 (2)	1.85 (2)	2.663 (4)	166 (5)
O16—H16A···O17^iv	0.83 (2)	1.95 (2)	2.767 (4)	170 (5)
O16—H16B···O22	0.84 (2)	1.87 (2)	2.702 (5)	173 (5)
O17—H17B···O6^v	0.83 (2)	1.90 (2)	2.722 (4)	171 (5)
O17—H17A···O12	0.82 (2)	2.11 (3)	2.880 (4)	158 (5)
O18—H18B···O14	0.82 (2)	1.92 (2)	2.728 (4)	171 (5)
O18—H18A···O26^i	0.84 (2)	2.03 (2)	2.840 (7)	164 (5)
O18—H18A···O27	0.84 (2)	1.92 (4)	2.639 (7)	144 (5)
O19—H19A···O24^viii	0.85 (2)	1.83 (10)	2.524 (10)	138 (13)
O19—H19B···O24^v	0.84 (2)	2.28 (13)	2.879 (9)	128 (14)
O20—H20B···O11	0.84 (2)	2.12 (2)	2.947 (4)	172 (5)
O20—H20A···O25	0.83 (2)	1.94 (3)	2.720 (7)	156 (5)
O20—H20A···O26^i	0.83 (2)	2.13 (3)	2.903 (7)	154 (5)
O21—H21B···O10^ii	0.83 (2)	1.91 (2)	2.717 (4)	164 (6)
O21—H21A···O18^iv	0.83 (2)	1.96 (3)	2.755 (4)	160 (6)
O22—H22B···O23	0.84 (2)	1.89 (3)	2.689 (5)	159 (6)
O22—H22A···O26^ii	0.84 (2)	2.19 (3)	2.974 (8)	157 (6)
O22—H22A···O28^ix	0.84 (2)	1.93 (3)	2.729 (7)	159 (6)
O23—H23A···O4^vi	0.83 (2)	1.89 (2)	2.723 (4)	178 (5)
O23—H23B···O13^ix	0.83 (2)	2.04 (2)	2.845 (4)	162 (5)
O24—H24A···O11^vi	0.83 (2)	2.19 (3)	2.993 (5)	161 (7)
O24—H24B···O8	0.83 (2)	2.00 (3)	2.802 (4)	163 (7)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) x+1, y+1, z.

(VI) hexaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) heptaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)dysprosium(III) sulfate hexahydrate

Crystal data

[Cu5Dy(C2H4N2O2)5(SO4)(H2O)6.5]2(SO4)·6H2O	Z = 1
Mr = 2471.74	F(000) = 1216
Triclinic, P1	Dx = 2.403 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.5987 (8) Å	Cell parameters from 9925 reflections
b = 11.5733 (10) Å	θ = 2.5–30.9°
c = 16.2193 (14) Å	µ = 5.42 mm^−1
α = 99.754 (1)°	T = 100 K
β = 91.452 (1)°	Plate, blue
γ = 105.290 (1)°	0.43 × 0.41 × 0.10 mm
V = 1708.2 (3) Å^3

Data collection

Bruker SMART APEX CCD area-detector diffractometer	9894 independent reflections
Radiation source: fine-focus sealed tube	9303 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.030
ω scans	θmax = 31.1°, θmin = 1.3°
Absorption correction: multi-scan (APEX2; Bruker, 2009)	h = −13→13
Tmin = 0.401, Tmax = 0.746	k = −16→16
19309 measured reflections	l = −23→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.024	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.064	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ^2(Fo^2) + (0.0266P)^2 + 1.0842P] where P = (Fo^2 + 2Fc^2)/3
9894 reflections	(Δ/σ)max = 0.002
562 parameters	Δρmax = 1.83 e Å^−3
20 restraints	Δρmin = −1.69 e Å^−3

Special details

Experimental. The water molecule of O19 is disordered over two mutually exclusive positions across an inversion centre and was refined as half occupied. The non-coordinated sulfate anion is located on an inversion centre and the O atoms are disordered over two sets of positions with half occupancy.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4447 (2)	0.2628 (2)	0.50420 (13)	0.0104 (4)
C2	0.3621 (3)	0.2948 (2)	0.57896 (14)	0.0135 (4)
H2C	0.3224	0.2214	0.6037	0.016*
H2D	0.4284	0.3569	0.6222	0.016*
C3	0.6788 (2)	0.0430 (2)	0.24887 (13)	0.0108 (4)
C4	0.6926 (3)	−0.0365 (2)	0.31109 (14)	0.0163 (4)
H4C	0.6315	−0.1204	0.2901	0.020*
H4D	0.7944	−0.0396	0.3170	0.020*
C5	0.7892 (2)	0.3484 (2)	0.03157 (13)	0.0113 (4)
C6	0.8864 (3)	0.2706 (2)	−0.00141 (14)	0.0144 (4)
H6C	0.8761	0.2540	−0.0635	0.017*
H6D	0.9885	0.3153	0.0166	0.017*
C7	0.5257 (2)	0.6990 (2)	0.13077 (13)	0.0104 (4)
C8	0.6020 (2)	0.7508 (2)	0.05987 (14)	0.0117 (4)
H8C	0.5319	0.7364	0.0109	0.014*
H8D	0.6437	0.8399	0.0773	0.014*
C9	0.2141 (2)	0.5796 (2)	0.38885 (13)	0.0113 (4)
C10	0.1628 (3)	0.6895 (2)	0.37996 (15)	0.0150 (4)
H10C	0.0572	0.6638	0.3651	0.018*
H10D	0.1815	0.7470	0.4342	0.018*
Cu1	0.57540 (3)	0.15516 (3)	0.389247 (16)	0.01146 (6)
Cu2	0.71656 (3)	0.16374 (3)	0.123935 (17)	0.01300 (6)
Cu3	0.68530 (3)	0.53546 (2)	0.080765 (16)	0.00962 (5)
Cu4	0.34947 (3)	0.64636 (2)	0.248824 (16)	0.00960 (6)
Cu5	0.28073 (3)	0.39842 (2)	0.443234 (16)	0.00996 (6)
Dy1	0.483509 (10)	0.356859 (8)	0.243115 (6)	0.00750 (3)
N1	0.4250 (2)	0.31404 (17)	0.44162 (11)	0.0110 (3)
N2	0.2423 (2)	0.34238 (19)	0.55302 (12)	0.0136 (4)
H2A	0.2350	0.4064	0.5932	0.016*
H2B	0.1563	0.2823	0.5475	0.016*
N3	0.6111 (2)	0.12412 (18)	0.27314 (12)	0.0114 (3)
N4	0.6478 (2)	0.00989 (19)	0.39419 (13)	0.0168 (4)
H4A	0.7254	0.0307	0.4334	0.020*
H4B	0.5760	−0.0502	0.4104	0.020*
N5	0.7025 (2)	0.30715 (17)	0.08649 (12)	0.0110 (3)
N6	0.8493 (2)	0.15336 (18)	0.02986 (12)	0.0124 (3)
H6A	0.9324	0.1379	0.0490	0.015*
H6B	0.8041	0.0907	−0.0130	0.015*
N7	0.5586 (2)	0.60398 (17)	0.14850 (11)	0.0109 (3)
N8	0.7196 (2)	0.69172 (17)	0.03630 (12)	0.0122 (3)
H8A	0.8078	0.7434	0.0582	0.015*
H8B	0.7212	0.6758	−0.0211	0.015*
N9	0.2919 (2)	0.54675 (17)	0.32984 (11)	0.0096 (3)
N10	0.2383 (2)	0.75135 (18)	0.31433 (13)	0.0153 (4)
H10A	0.3008	0.8249	0.3389	0.018*
H10B	0.1716	0.7663	0.2787	0.018*
O1	0.50031 (17)	0.28833 (15)	0.37168 (9)	0.0115 (3)
O2	0.52684 (18)	0.19044 (15)	0.50588 (10)	0.0132 (3)
O3	0.60378 (18)	0.20074 (15)	0.21637 (10)	0.0138 (3)
O4	0.73321 (18)	0.02920 (15)	0.17653 (10)	0.0124 (3)
O5	0.61546 (17)	0.38112 (14)	0.11894 (10)	0.0107 (3)
O6	0.79816 (18)	0.45097 (15)	0.00761 (10)	0.0132 (3)
O7	0.48641 (17)	0.55431 (15)	0.21309 (10)	0.0115 (3)
O8	0.43298 (18)	0.74834 (15)	0.16974 (10)	0.0131 (3)
O9	0.34563 (17)	0.44833 (14)	0.33926 (10)	0.0111 (3)
O10	0.18058 (18)	0.52543 (15)	0.45169 (10)	0.0134 (3)
O11	0.28692 (18)	0.16999 (15)	0.22275 (10)	0.0143 (3)
O12	0.27379 (17)	0.32264 (15)	0.14607 (10)	0.0126 (3)
O13	0.14633 (18)	0.11229 (15)	0.08735 (10)	0.0158 (3)
O14	0.05689 (18)	0.21827 (18)	0.20563 (11)	0.0190 (3)
O15	0.72126 (18)	0.46110 (16)	0.30101 (10)	0.0131 (3)
H15A	0.762 (3)	0.420 (3)	0.3244 (19)	0.020*
H15B	0.768 (3)	0.490 (3)	0.2643 (16)	0.020*
O16	0.88557 (19)	0.57803 (17)	0.19208 (11)	0.0177 (3)
H16A	0.959 (3)	0.560 (3)	0.176 (2)	0.027*
H16B	0.914 (4)	0.646 (2)	0.2211 (19)	0.027*
O17	0.14176 (19)	0.52054 (16)	0.15229 (10)	0.0149 (3)
H17A	0.166 (3)	0.459 (2)	0.156 (2)	0.022*
H17B	0.157 (4)	0.528 (3)	0.1037 (13)	0.022*
O18	0.07051 (19)	0.25200 (17)	0.37645 (11)	0.0169 (3)
H18A	0.048 (4)	0.184 (2)	0.391 (2)	0.025*
H18B	0.070 (4)	0.242 (3)	0.3260 (12)	0.025*
O19	0.5198 (5)	0.0416 (5)	0.0281 (3)	0.0348 (10)	0.50
H19A	0.463 (10)	−0.003 (7)	0.056 (5)	0.052*	0.50
H19B	0.534 (12)	0.028 (9)	−0.024 (2)	0.052*	0.50
O20	0.3097 (2)	0.02276 (17)	0.35148 (12)	0.0194 (3)
H20A	0.249 (3)	0.030 (3)	0.3844 (19)	0.029*
H20B	0.291 (4)	0.062 (3)	0.3165 (18)	0.029*
O21	0.8271 (2)	0.33400 (19)	0.39695 (11)	0.0208 (4)
H21A	0.908 (3)	0.321 (3)	0.392 (2)	0.031*
H21B	0.834 (4)	0.377 (3)	0.4450 (14)	0.031*
O22	0.9753 (2)	0.8142 (2)	0.27086 (13)	0.0264 (4)
H22A	0.971 (4)	0.856 (3)	0.3176 (15)	0.040*
H22B	0.973 (4)	0.855 (3)	0.2337 (19)	0.040*
O23	0.94053 (19)	0.91220 (16)	0.13437 (11)	0.0163 (3)
H23A	0.883 (3)	0.954 (3)	0.144 (2)	0.024*
H23B	1.007 (3)	0.968 (3)	0.122 (2)	0.024*
O24	0.3410 (3)	0.9425 (2)	0.12650 (13)	0.0381 (6)
H24A	0.333 (5)	1.005 (3)	0.157 (2)	0.057*
H24B	0.362 (5)	0.889 (3)	0.150 (3)	0.057*
O25	0.1635 (4)	0.0375 (4)	0.4926 (2)	0.0223 (8)	0.50
O26	−0.0305 (4)	−0.0157 (3)	0.5824 (2)	0.0187 (7)	0.50
O27	−0.0510 (4)	0.1040 (3)	0.4777 (2)	0.0192 (7)	0.50
O28	−0.0610 (4)	−0.1084 (3)	0.4353 (2)	0.0223 (7)	0.50
S1	0.18540 (6)	0.20247 (5)	0.16464 (3)	0.01095 (10)
S2	0.0000	0.0000	0.5000	0.01331 (14)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0116 (9)	0.0091 (9)	0.0103 (9)	0.0032 (7)	0.0002 (7)	0.0010 (7)
C2	0.0174 (10)	0.0157 (10)	0.0111 (9)	0.0091 (8)	0.0045 (7)	0.0048 (8)
C3	0.0094 (9)	0.0094 (9)	0.0137 (9)	0.0030 (7)	0.0012 (7)	0.0017 (8)
C4	0.0257 (12)	0.0142 (11)	0.0135 (10)	0.0131 (9)	0.0013 (8)	0.0024 (8)
C5	0.0109 (9)	0.0122 (10)	0.0111 (9)	0.0043 (8)	0.0018 (7)	0.0011 (7)
C6	0.0151 (10)	0.0122 (10)	0.0170 (10)	0.0050 (8)	0.0066 (8)	0.0034 (8)
C7	0.0103 (9)	0.0083 (9)	0.0128 (9)	0.0029 (7)	0.0008 (7)	0.0019 (7)
C8	0.0130 (10)	0.0106 (10)	0.0137 (9)	0.0050 (8)	0.0024 (7)	0.0055 (8)
C9	0.0105 (9)	0.0123 (10)	0.0127 (9)	0.0061 (8)	0.0004 (7)	0.0021 (8)
C10	0.0165 (11)	0.0172 (11)	0.0162 (10)	0.0108 (9)	0.0057 (8)	0.0057 (8)
Cu1	0.01586 (13)	0.01182 (13)	0.01032 (12)	0.00896 (10)	0.00239 (9)	0.00346 (10)
Cu2	0.01753 (14)	0.01005 (13)	0.01520 (13)	0.00791 (10)	0.00845 (10)	0.00502 (10)
Cu3	0.01134 (12)	0.00838 (12)	0.01059 (11)	0.00395 (9)	0.00407 (9)	0.00322 (9)
Cu4	0.01058 (12)	0.00860 (12)	0.01171 (12)	0.00507 (9)	0.00290 (9)	0.00335 (9)
Cu5	0.01117 (12)	0.01145 (13)	0.01014 (12)	0.00640 (10)	0.00376 (9)	0.00418 (9)
Dy1	0.00779 (5)	0.00703 (5)	0.00887 (5)	0.00336 (4)	0.00184 (3)	0.00241 (3)
N1	0.0137 (8)	0.0110 (8)	0.0102 (8)	0.0068 (7)	0.0040 (6)	0.0017 (7)
N2	0.0134 (9)	0.0171 (9)	0.0132 (8)	0.0077 (7)	0.0045 (6)	0.0050 (7)
N3	0.0144 (9)	0.0110 (9)	0.0128 (8)	0.0078 (7)	0.0029 (6)	0.0058 (7)
N4	0.0224 (10)	0.0180 (10)	0.0168 (9)	0.0136 (8)	0.0073 (7)	0.0083 (8)
N5	0.0106 (8)	0.0114 (9)	0.0134 (8)	0.0067 (7)	0.0044 (6)	0.0023 (7)
N6	0.0127 (9)	0.0118 (9)	0.0137 (8)	0.0052 (7)	0.0017 (6)	0.0020 (7)
N7	0.0126 (9)	0.0104 (9)	0.0118 (8)	0.0042 (7)	0.0044 (6)	0.0052 (7)
N8	0.0141 (9)	0.0107 (9)	0.0124 (8)	0.0036 (7)	0.0032 (6)	0.0034 (7)
N9	0.0115 (8)	0.0073 (8)	0.0120 (8)	0.0058 (7)	0.0026 (6)	0.0017 (6)
N10	0.0157 (9)	0.0099 (9)	0.0225 (10)	0.0061 (7)	0.0065 (7)	0.0044 (7)
O1	0.0135 (7)	0.0152 (8)	0.0100 (7)	0.0091 (6)	0.0046 (5)	0.0051 (6)
O2	0.0170 (8)	0.0145 (8)	0.0118 (7)	0.0092 (6)	0.0022 (6)	0.0045 (6)
O3	0.0204 (8)	0.0132 (8)	0.0137 (7)	0.0102 (6)	0.0067 (6)	0.0089 (6)
O4	0.0162 (8)	0.0097 (7)	0.0136 (7)	0.0067 (6)	0.0048 (6)	0.0028 (6)
O5	0.0120 (7)	0.0101 (7)	0.0131 (7)	0.0071 (6)	0.0053 (5)	0.0039 (6)
O6	0.0152 (8)	0.0114 (7)	0.0144 (7)	0.0046 (6)	0.0062 (6)	0.0040 (6)
O7	0.0131 (7)	0.0124 (7)	0.0125 (7)	0.0062 (6)	0.0065 (5)	0.0071 (6)
O8	0.0145 (7)	0.0116 (7)	0.0166 (7)	0.0072 (6)	0.0051 (6)	0.0054 (6)
O9	0.0149 (7)	0.0106 (7)	0.0122 (7)	0.0093 (6)	0.0045 (5)	0.0046 (6)
O10	0.0160 (8)	0.0151 (8)	0.0135 (7)	0.0098 (6)	0.0056 (6)	0.0053 (6)
O11	0.0145 (8)	0.0128 (8)	0.0151 (7)	0.0015 (6)	−0.0030 (6)	0.0054 (6)
O12	0.0135 (7)	0.0107 (7)	0.0136 (7)	0.0021 (6)	−0.0008 (5)	0.0046 (6)
O13	0.0181 (8)	0.0133 (8)	0.0134 (7)	0.0011 (6)	−0.0014 (6)	0.0005 (6)
O14	0.0114 (8)	0.0282 (10)	0.0156 (8)	0.0037 (7)	0.0024 (6)	0.0018 (7)
O15	0.0118 (7)	0.0151 (8)	0.0129 (7)	0.0036 (6)	0.0006 (5)	0.0043 (6)
O16	0.0129 (8)	0.0199 (9)	0.0201 (8)	0.0042 (7)	0.0024 (6)	0.0032 (7)
O17	0.0189 (8)	0.0155 (8)	0.0132 (7)	0.0083 (7)	0.0026 (6)	0.0045 (6)
O18	0.0171 (8)	0.0179 (9)	0.0152 (8)	0.0044 (7)	0.0030 (6)	0.0019 (7)
O19	0.030 (2)	0.036 (3)	0.025 (2)	−0.0103 (19)	−0.0005 (16)	0.0008 (18)
O20	0.0211 (9)	0.0169 (9)	0.0214 (9)	0.0058 (7)	0.0048 (7)	0.0053 (7)
O21	0.0166 (8)	0.0311 (10)	0.0162 (8)	0.0137 (8)	−0.0015 (6)	−0.0028 (7)
O22	0.0344 (11)	0.0292 (11)	0.0218 (9)	0.0192 (9)	−0.0003 (8)	0.0048 (8)
O23	0.0144 (8)	0.0112 (8)	0.0240 (8)	0.0051 (6)	0.0041 (6)	0.0025 (7)
O24	0.0701 (17)	0.0288 (12)	0.0220 (10)	0.0334 (12)	−0.0165 (10)	−0.0065 (9)
O25	0.0105 (16)	0.035 (2)	0.0222 (17)	0.0042 (15)	0.0015 (13)	0.0117 (16)
O26	0.0224 (18)	0.0207 (18)	0.0149 (16)	0.0054 (14)	0.0053 (13)	0.0083 (13)
O27	0.0212 (17)	0.0156 (17)	0.0248 (18)	0.0089 (14)	0.0039 (13)	0.0082 (14)
O28	0.030 (2)	0.0112 (16)	0.0201 (17)	−0.0020 (14)	0.0005 (14)	−0.0007 (13)
S1	0.0109 (2)	0.0111 (2)	0.0103 (2)	0.00168 (18)	0.00016 (17)	0.00245 (18)
S2	0.0121 (3)	0.0120 (3)	0.0158 (3)	0.0039 (3)	−0.0026 (3)	0.0020 (3)

Geometric parameters (Å, º)

C1—N1	1.293 (3)	Dy1—O11	2.4334 (17)
C1—O2	1.295 (3)	Dy1—S1	3.0576 (6)
C1—C2	1.512 (3)	N1—O1	1.392 (2)
C2—N2	1.480 (3)	N2—H2A	0.9200
C2—H2C	0.9900	N2—H2B	0.9200
C2—H2D	0.9900	N3—O3	1.395 (2)
C3—N3	1.291 (3)	N4—H4A	0.9200
C3—O4	1.299 (3)	N4—H4B	0.9200
C3—C4	1.501 (3)	N5—O5	1.398 (2)
C4—N4	1.482 (3)	N6—H6A	0.9200
C4—H4C	0.9900	N6—H6B	0.9200
C4—H4D	0.9900	N7—O7	1.392 (2)
C5—O6	1.293 (3)	N8—H8A	0.9200
C5—N5	1.299 (3)	N8—H8B	0.9200
C5—C6	1.507 (3)	N9—O9	1.397 (2)
C6—N6	1.488 (3)	N10—H10A	0.9200
C6—H6C	0.9900	N10—H10B	0.9200
C6—H6D	0.9900	O11—S1	1.4987 (17)
C7—N7	1.295 (3)	O12—S1	1.5091 (16)
C7—O8	1.301 (3)	O13—S1	1.4587 (17)
C7—C8	1.504 (3)	O14—S1	1.4548 (17)
C8—N8	1.493 (3)	O15—H15A	0.818 (18)
C8—H8C	0.9900	O15—H15B	0.817 (18)
C8—H8D	0.9900	O16—H16A	0.827 (18)
C9—O10	1.289 (3)	O16—H16B	0.821 (18)
C9—N9	1.297 (3)	O17—H17A	0.815 (18)
C9—C10	1.506 (3)	O17—H17B	0.819 (18)
C10—N10	1.481 (3)	O18—H18A	0.840 (18)
C10—H10C	0.9900	O18—H18B	0.806 (18)
C10—H10D	0.9900	O19—H19A	0.84 (2)
Cu1—N3	1.9136 (19)	O19—H19B	0.85 (2)
Cu1—O1	1.9236 (16)	O20—H20A	0.813 (18)
Cu1—O2	1.9610 (16)	O20—H20B	0.825 (18)
Cu1—N4	1.994 (2)	O21—H21A	0.830 (18)
Cu2—N5	1.8967 (19)	O21—H21B	0.842 (18)
Cu2—O3	1.9267 (16)	O22—H22A	0.836 (19)
Cu2—O4	1.9370 (16)	O22—H22B	0.833 (18)
Cu2—N6	2.0206 (19)	O23—H23A	0.827 (18)
Cu2—O19	2.384 (5)	O23—H23B	0.830 (18)
Cu3—N7	1.8963 (18)	O24—H24A	0.828 (19)
Cu3—O6	1.9412 (16)	O24—H24B	0.843 (19)
Cu3—O5	1.9462 (16)	O25—S2	1.527 (3)
Cu3—N8	2.0097 (19)	O25—O26^i	1.679 (5)
Cu4—N9	1.8908 (18)	O25—O28^i	1.780 (6)
Cu4—O8	1.9357 (16)	O26—S2	1.407 (3)
Cu4—O7	1.9408 (16)	O26—O28^i	1.550 (5)
Cu4—N10	2.012 (2)	O26—O27^i	1.653 (5)
Cu5—N1	1.8915 (19)	O26—O25^i	1.679 (5)
Cu5—O9	1.9388 (15)	O27—S2	1.506 (3)
Cu5—O10	1.9462 (16)	O27—O26^i	1.653 (5)
Cu5—N2	2.0064 (18)	O27—O28^i	1.738 (5)
Cu5—O18	2.3623 (18)	O28—S2	1.467 (4)
Dy1—O9	2.3640 (15)	O28—O26^i	1.550 (5)
Dy1—O15	2.3665 (17)	O28—O27^i	1.738 (5)
Dy1—O1	2.3694 (15)	O28—O25^i	1.780 (6)
Dy1—O3	2.3760 (16)	S2—O26^i	1.407 (3)
Dy1—O7	2.4092 (16)	S2—O28^i	1.467 (4)
Dy1—O5	2.4234 (15)	S2—O27^i	1.506 (3)
Dy1—O12	2.4278 (16)	S2—O25^i	1.527 (3)
N1—C1—O2	125.17 (19)	C3—N3—Cu1	117.97 (15)
N1—C1—C2	113.87 (19)	O3—N3—Cu1	125.13 (14)
O2—C1—C2	120.96 (18)	C4—N4—Cu1	110.37 (14)
N2—C2—C1	110.20 (17)	C4—N4—H4A	109.6
N2—C2—H2C	109.6	Cu1—N4—H4A	109.6
C1—C2—H2C	109.6	C4—N4—H4B	109.6
N2—C2—H2D	109.6	Cu1—N4—H4B	109.6
C1—C2—H2D	109.6	H4A—N4—H4B	108.1
H2C—C2—H2D	108.1	C5—N5—O5	115.49 (18)
N3—C3—O4	123.9 (2)	C5—N5—Cu2	118.69 (15)
N3—C3—C4	115.23 (19)	O5—N5—Cu2	125.50 (13)
O4—C3—C4	120.87 (19)	C6—N6—Cu2	109.23 (13)
N4—C4—C3	111.39 (18)	C6—N6—H6A	109.8
N4—C4—H4C	109.4	Cu2—N6—H6A	109.8
C3—C4—H4C	109.3	C6—N6—H6B	109.8
N4—C4—H4D	109.3	Cu2—N6—H6B	109.8
C3—C4—H4D	109.3	H6A—N6—H6B	108.3
H4C—C4—H4D	108.0	C7—N7—O7	115.67 (17)
O6—C5—N5	123.8 (2)	C7—N7—Cu3	119.06 (15)
O6—C5—C6	120.64 (19)	O7—N7—Cu3	125.05 (13)
N5—C5—C6	115.52 (19)	C8—N8—Cu3	109.70 (13)
N6—C6—C5	111.05 (18)	C8—N8—H8A	109.7
N6—C6—H6C	109.4	Cu3—N8—H8A	109.7
C5—C6—H6C	109.4	C8—N8—H8B	109.7
N6—C6—H6D	109.4	Cu3—N8—H8B	109.7
C5—C6—H6D	109.4	H8A—N8—H8B	108.2
H6C—C6—H6D	108.0	C9—N9—O9	115.61 (17)
N7—C7—O8	124.0 (2)	C9—N9—Cu4	119.32 (15)
N7—C7—C8	115.42 (19)	O9—N9—Cu4	124.30 (13)
O8—C7—C8	120.59 (19)	C10—N10—Cu4	110.04 (14)
N8—C8—C7	109.63 (17)	C10—N10—H10A	109.7
N8—C8—H8C	109.7	Cu4—N10—H10A	109.7
C7—C8—H8C	109.7	C10—N10—H10B	109.7
N8—C8—H8D	109.7	Cu4—N10—H10B	109.7
C7—C8—H8D	109.7	H10A—N10—H10B	108.2
H8C—C8—H8D	108.2	N1—O1—Cu1	106.05 (11)
O10—C9—N9	124.6 (2)	N1—O1—Dy1	125.80 (12)
O10—C9—C10	120.41 (19)	Cu1—O1—Dy1	126.21 (7)
N9—C9—C10	115.00 (19)	C1—O2—Cu1	104.06 (13)
N10—C10—C9	110.87 (18)	N3—O3—Cu2	108.31 (12)
N10—C10—H10C	109.5	N3—O3—Dy1	122.45 (12)
C9—C10—H10C	109.5	Cu2—O3—Dy1	129.07 (7)
N10—C10—H10D	109.5	C3—O4—Cu2	107.11 (14)
C9—C10—H10D	109.5	N5—O5—Cu3	106.97 (11)
H10C—C10—H10D	108.1	N5—O5—Dy1	123.99 (12)
N3—Cu1—O1	90.46 (7)	Cu3—O5—Dy1	124.10 (7)
N3—Cu1—O2	175.98 (7)	C5—O6—Cu3	107.05 (13)
O1—Cu1—O2	86.20 (6)	N7—O7—Cu4	107.52 (12)
N3—Cu1—N4	83.82 (8)	N7—O7—Dy1	124.16 (12)
O1—Cu1—N4	173.76 (8)	Cu4—O7—Dy1	125.98 (7)
O2—Cu1—N4	99.41 (7)	C7—O8—Cu4	107.04 (13)
N5—Cu2—O3	89.26 (7)	N9—O9—Cu5	107.33 (11)
N5—Cu2—O4	172.69 (8)	N9—O9—Dy1	125.83 (11)
O3—Cu2—O4	84.96 (6)	Cu5—O9—Dy1	126.81 (7)
N5—Cu2—N6	83.65 (8)	C9—O10—Cu5	106.68 (13)
O3—Cu2—N6	171.02 (8)	S1—O11—Dy1	99.32 (8)
O4—Cu2—N6	101.63 (7)	S1—O12—Dy1	99.25 (8)
N5—Cu2—O19	91.42 (15)	Dy1—O15—H15A	115 (2)
O3—Cu2—O19	97.27 (13)	Dy1—O15—H15B	109 (2)
O4—Cu2—O19	93.75 (14)	H15A—O15—H15B	112 (3)
N6—Cu2—O19	88.44 (13)	H16A—O16—H16B	106 (3)
N7—Cu3—O6	174.14 (8)	H17A—O17—H17B	102 (3)
N7—Cu3—O5	91.03 (7)	Cu5—O18—H18A	118 (2)
O6—Cu3—O5	84.99 (6)	Cu5—O18—H18B	113 (2)
N7—Cu3—N8	82.74 (8)	H18A—O18—H18B	109 (3)
O6—Cu3—N8	100.55 (7)	Cu2—O19—H19A	107 (7)
O5—Cu3—N8	169.69 (7)	Cu2—O19—H19B	118 (8)
N9—Cu4—O8	172.81 (7)	H19A—O19—H19B	129 (10)
N9—Cu4—O7	89.11 (7)	H20A—O20—H20B	101 (3)
O8—Cu4—O7	85.50 (6)	H21A—O21—H21B	104 (4)
N9—Cu4—N10	83.59 (8)	H22A—O22—H22B	109 (4)
O8—Cu4—N10	100.56 (7)	H23A—O23—H23B	96 (3)
O7—Cu4—N10	165.13 (8)	H24A—O24—H24B	118 (4)
N1—Cu5—O9	88.82 (7)	S2—O25—O26^i	51.78 (16)
N1—Cu5—O10	163.56 (8)	S2—O25—O28^i	52.00 (16)
O9—Cu5—O10	85.63 (6)	O26^i—O25—O28^i	88.8 (2)
N1—Cu5—N2	83.23 (8)	S2—O26—O28^i	59.28 (19)
O9—Cu5—N2	171.54 (7)	S2—O26—O27^i	58.33 (18)
O10—Cu5—N2	101.23 (7)	O28^i—O26—O27^i	97.8 (3)
N1—Cu5—O18	105.07 (8)	S2—O26—O25^i	58.55 (17)
O9—Cu5—O18	93.39 (7)	O28^i—O26—O25^i	96.4 (3)
O10—Cu5—O18	90.71 (7)	O27^i—O26—O25^i	92.2 (3)
N2—Cu5—O18	91.49 (7)	S2—O27—O26^i	52.63 (16)
O9—Dy1—O15	100.72 (6)	S2—O27—O28^i	53.20 (17)
O9—Dy1—O1	71.52 (5)	O26^i—O27—O28^i	91.1 (2)
O15—Dy1—O1	75.85 (6)	S2—O28—O26^i	55.50 (18)
O9—Dy1—O3	144.54 (5)	S2—O28—O27^i	55.29 (17)
O15—Dy1—O3	78.29 (6)	O26^i—O28—O27^i	93.6 (3)
O1—Dy1—O3	73.98 (5)	S2—O28—O25^i	55.11 (18)
O9—Dy1—O7	70.74 (5)	O26^i—O28—O25^i	92.4 (3)
O15—Dy1—O7	82.52 (6)	O27^i—O28—O25^i	86.1 (2)
O1—Dy1—O7	131.56 (5)	O14—S1—O13	110.97 (10)
O3—Dy1—O7	142.39 (5)	O14—S1—O11	111.16 (10)
O9—Dy1—O5	143.51 (5)	O13—S1—O11	111.38 (10)
O15—Dy1—O5	77.72 (6)	O14—S1—O12	110.03 (10)
O1—Dy1—O5	139.92 (5)	O13—S1—O12	110.06 (10)
O3—Dy1—O5	71.54 (5)	O11—S1—O12	102.96 (9)
O7—Dy1—O5	72.94 (5)	O14—S1—Dy1	119.09 (8)
O9—Dy1—O12	83.72 (6)	O13—S1—Dy1	129.92 (7)
O15—Dy1—O12	153.62 (5)	O11—S1—Dy1	51.75 (6)
O1—Dy1—O12	129.46 (5)	O12—S1—Dy1	51.60 (6)
O3—Dy1—O12	112.97 (6)	O26^i—S2—O26	180.000 (1)
O7—Dy1—O12	74.39 (5)	O26^i—S2—O28^i	114.8 (2)
O5—Dy1—O12	83.38 (5)	O26—S2—O28^i	65.2 (2)
O9—Dy1—O11	88.42 (6)	O26^i—S2—O28	65.2 (2)
O15—Dy1—O11	147.34 (6)	O26—S2—O28	114.8 (2)
O1—Dy1—O11	77.58 (5)	O28^i—S2—O28	180.000 (1)
O3—Dy1—O11	76.39 (6)	O26^i—S2—O27^i	111.0 (2)
O7—Dy1—O11	129.83 (5)	O26—S2—O27^i	69.0 (2)
O5—Dy1—O11	112.73 (6)	O28^i—S2—O27^i	108.5 (2)
O12—Dy1—O11	57.91 (5)	O28—S2—O27^i	71.5 (2)
O9—Dy1—S1	83.19 (4)	O26^i—S2—O27	69.0 (2)
O15—Dy1—S1	175.07 (4)	O26—S2—O27	111.0 (2)
O1—Dy1—S1	102.79 (4)	O28^i—S2—O27	71.5 (2)
O3—Dy1—S1	96.78 (4)	O28—S2—O27	108.5 (2)
O7—Dy1—S1	101.71 (4)	O27^i—S2—O27	179.998 (1)
O5—Dy1—S1	100.95 (4)	O26^i—S2—O25	69.7 (2)
O12—Dy1—S1	29.15 (4)	O26—S2—O25	110.3 (2)
O11—Dy1—S1	28.93 (4)	O28^i—S2—O25	72.9 (2)
C1—N1—O1	115.89 (17)	O28—S2—O25	107.1 (2)
C1—N1—Cu5	119.65 (15)	O27^i—S2—O25	75.4 (2)
O1—N1—Cu5	123.87 (13)	O27—S2—O25	104.6 (2)
C2—N2—Cu5	109.49 (13)	O26^i—S2—O25^i	110.3 (2)
C2—N2—H2A	109.8	O26—S2—O25^i	69.7 (2)
Cu5—N2—H2A	109.8	O28^i—S2—O25^i	107.1 (2)
C2—N2—H2B	109.8	O28—S2—O25^i	72.9 (2)
Cu5—N2—H2B	109.8	O27^i—S2—O25^i	104.6 (2)
H2A—N2—H2B	108.2	O27—S2—O25^i	75.4 (2)
C3—N3—O3	114.89 (17)	O25—S2—O25^i	179.999 (1)
N1—C1—C2—N2	19.1 (3)	C6—C5—O6—Cu3	−168.60 (17)
O2—C1—C2—N2	−161.1 (2)	O5—Cu3—O6—C5	−10.81 (14)
N3—C3—C4—N4	−10.3 (3)	N8—Cu3—O6—C5	177.97 (14)
O4—C3—C4—N4	169.3 (2)	C7—N7—O7—Cu4	3.3 (2)
O6—C5—C6—N6	−175.81 (19)	Cu3—N7—O7—Cu4	−171.11 (11)
N5—C5—C6—N6	6.5 (3)	C7—N7—O7—Dy1	166.81 (15)
N7—C7—C8—N8	−10.2 (3)	Cu3—N7—O7—Dy1	−7.6 (2)
O8—C7—C8—N8	170.26 (19)	N9—Cu4—O7—N7	−179.58 (13)
O10—C9—C10—N10	168.2 (2)	O8—Cu4—O7—N7	−4.34 (13)
N9—C9—C10—N10	−11.7 (3)	N10—Cu4—O7—N7	−119.2 (3)
O2—C1—N1—O1	−0.5 (3)	N9—Cu4—O7—Dy1	17.34 (10)
C2—C1—N1—O1	179.28 (18)	O8—Cu4—O7—Dy1	−167.42 (10)
O2—C1—N1—Cu5	171.05 (17)	N10—Cu4—O7—Dy1	77.7 (3)
C2—C1—N1—Cu5	−9.2 (3)	O9—Dy1—O7—N7	−179.76 (16)
O9—Cu5—N1—C1	175.15 (18)	O15—Dy1—O7—N7	76.08 (15)
O10—Cu5—N1—C1	105.0 (3)	O1—Dy1—O7—N7	139.59 (14)
N2—Cu5—N1—C1	−1.94 (18)	O3—Dy1—O7—N7	16.5 (2)
O18—Cu5—N1—C1	−91.66 (18)	O5—Dy1—O7—N7	−3.32 (14)
O9—Cu5—N1—O1	−14.06 (17)	O12—Dy1—O7—N7	−91.06 (15)
O10—Cu5—N1—O1	−84.2 (3)	O11—Dy1—O7—N7	−109.00 (15)
N2—Cu5—N1—O1	168.86 (18)	S1—Dy1—O7—N7	−101.33 (14)
O18—Cu5—N1—O1	79.14 (17)	O9—Dy1—O7—Cu4	−19.36 (9)
C1—C2—N2—Cu5	−19.6 (2)	O15—Dy1—O7—Cu4	−123.52 (10)
N1—Cu5—N2—C2	12.43 (16)	O1—Dy1—O7—Cu4	−60.00 (12)
O10—Cu5—N2—C2	−151.55 (15)	O3—Dy1—O7—Cu4	176.87 (8)
O18—Cu5—N2—C2	117.43 (16)	O5—Dy1—O7—Cu4	157.09 (11)
O4—C3—N3—O3	−2.0 (3)	O12—Dy1—O7—Cu4	69.35 (10)
C4—C3—N3—O3	177.57 (19)	O11—Dy1—O7—Cu4	51.40 (12)
O4—C3—N3—Cu1	−166.68 (17)	S1—Dy1—O7—Cu4	59.07 (9)
C4—C3—N3—Cu1	12.9 (3)	N7—C7—O8—Cu4	−4.3 (3)
O1—Cu1—N3—C3	173.79 (18)	C8—C7—O8—Cu4	175.27 (16)
N4—Cu1—N3—C3	−8.72 (18)	O7—Cu4—O8—C7	4.59 (14)
O1—Cu1—N3—O3	10.79 (17)	N10—Cu4—O8—C7	170.89 (14)
N4—Cu1—N3—O3	−171.71 (18)	C9—N9—O9—Cu5	−0.7 (2)
C3—C4—N4—Cu1	3.3 (2)	Cu4—N9—O9—Cu5	169.16 (10)
N3—Cu1—N4—C4	2.22 (17)	C9—N9—O9—Dy1	177.49 (15)
O2—Cu1—N4—C4	179.82 (16)	Cu4—N9—O9—Dy1	−12.7 (2)
O6—C5—N5—O5	0.6 (3)	N1—Cu5—O9—N9	−162.29 (13)
C6—C5—N5—O5	178.14 (18)	O10—Cu5—O9—N9	2.23 (13)
O6—C5—N5—Cu2	−173.35 (17)	O18—Cu5—O9—N9	92.68 (13)
C6—C5—N5—Cu2	4.2 (3)	N1—Cu5—O9—Dy1	19.57 (10)
O3—Cu2—N5—C5	164.81 (18)	O10—Cu5—O9—Dy1	−175.92 (10)
N6—Cu2—N5—C5	−9.66 (17)	O18—Cu5—O9—Dy1	−85.46 (10)
O19—Cu2—N5—C5	−97.9 (2)	O15—Dy1—O9—N9	95.15 (15)
O3—Cu2—N5—O5	−8.43 (17)	O1—Dy1—O9—N9	166.14 (16)
N6—Cu2—N5—O5	177.09 (18)	O3—Dy1—O9—N9	179.97 (13)
O19—Cu2—N5—O5	88.8 (2)	O7—Dy1—O9—N9	17.07 (14)
C5—C6—N6—Cu2	−13.0 (2)	O5—Dy1—O9—N9	11.3 (2)
N5—Cu2—N6—C6	12.21 (15)	O12—Dy1—O9—N9	−58.55 (15)
O4—Cu2—N6—C6	−162.67 (14)	O11—Dy1—O9—N9	−116.43 (15)
O19—Cu2—N6—C6	103.8 (2)	S1—Dy1—O9—N9	−87.89 (15)
O8—C7—N7—O7	0.7 (3)	O15—Dy1—O9—Cu5	−87.04 (10)
C8—C7—N7—O7	−178.90 (17)	O1—Dy1—O9—Cu5	−16.04 (9)
O8—C7—N7—Cu3	175.47 (17)	O3—Dy1—O9—Cu5	−2.21 (17)
C8—C7—N7—Cu3	−4.1 (3)	O7—Dy1—O9—Cu5	−165.11 (11)
O5—Cu3—N7—C7	−159.62 (17)	O5—Dy1—O9—Cu5	−170.84 (8)
N8—Cu3—N7—C7	12.14 (17)	O12—Dy1—O9—Cu5	119.27 (10)
O5—Cu3—N7—O7	14.66 (17)	O11—Dy1—O9—Cu5	61.39 (10)
N8—Cu3—N7—O7	−173.58 (17)	S1—Dy1—O9—Cu5	89.93 (9)
C7—C8—N8—Cu3	18.3 (2)	N9—C9—O10—Cu5	4.3 (3)
N7—Cu3—N8—C8	−16.55 (14)	C10—C9—O10—Cu5	−175.56 (17)
O6—Cu3—N8—C8	158.54 (14)	N1—Cu5—O10—C9	67.3 (3)
O5—Cu3—N8—C8	36.7 (5)	O9—Cu5—O10—C9	−3.36 (15)
O10—C9—N9—O9	−2.6 (3)	N2—Cu5—O10—C9	171.64 (15)
C10—C9—N9—O9	177.24 (18)	O18—Cu5—O10—C9	−96.70 (15)
O10—C9—N9—Cu4	−172.99 (17)	O9—Dy1—O11—S1	78.75 (8)
C10—C9—N9—Cu4	6.9 (3)	O15—Dy1—O11—S1	−173.69 (8)
O7—Cu4—N9—C9	166.73 (18)	O1—Dy1—O11—S1	150.17 (9)
N10—Cu4—N9—C9	−0.30 (17)	O3—Dy1—O11—S1	−133.57 (9)
O7—Cu4—N9—O9	−2.76 (16)	O7—Dy1—O11—S1	15.67 (12)
N10—Cu4—N9—O9	−169.78 (17)	O5—Dy1—O11—S1	−70.61 (9)
C9—C10—N10—Cu4	10.8 (2)	O12—Dy1—O11—S1	−4.83 (7)
N9—Cu4—N10—C10	−6.23 (16)	O9—Dy1—O12—S1	−87.28 (8)
O8—Cu4—N10—C10	179.71 (15)	O15—Dy1—O12—S1	171.22 (10)
O7—Cu4—N10—C10	−67.3 (4)	O1—Dy1—O12—S1	−27.53 (11)
C1—N1—O1—Cu1	11.9 (2)	O3—Dy1—O12—S1	60.22 (9)
Cu5—N1—O1—Cu1	−159.19 (11)	O7—Dy1—O12—S1	−158.99 (9)
C1—N1—O1—Dy1	176.81 (15)	O5—Dy1—O12—S1	126.92 (8)
Cu5—N1—O1—Dy1	5.7 (2)	O11—Dy1—O12—S1	4.79 (7)
N3—Cu1—O1—N1	163.99 (13)	Dy1—O11—S1—O14	−111.02 (10)
O2—Cu1—O1—N1	−13.78 (13)	Dy1—O11—S1—O13	124.67 (9)
N3—Cu1—O1—Dy1	−0.82 (10)	Dy1—O11—S1—O12	6.76 (10)
O2—Cu1—O1—Dy1	−178.59 (10)	Dy1—O12—S1—O14	111.80 (9)
O9—Dy1—O1—N1	5.41 (15)	Dy1—O12—S1—O13	−125.61 (9)
O15—Dy1—O1—N1	112.07 (16)	Dy1—O12—S1—O11	−6.77 (10)
O3—Dy1—O1—N1	−166.29 (17)	O9—Dy1—S1—O14	−4.10 (10)
O7—Dy1—O1—N1	45.83 (18)	O1—Dy1—S1—O14	65.14 (10)
O5—Dy1—O1—N1	162.26 (13)	O3—Dy1—S1—O14	140.19 (10)
O12—Dy1—O1—N1	−59.46 (18)	O7—Dy1—S1—O14	−72.75 (10)
O11—Dy1—O1—N1	−87.10 (16)	O5—Dy1—S1—O14	−147.38 (10)
S1—Dy1—O1—N1	−72.81 (15)	O12—Dy1—S1—O14	−93.40 (12)
O9—Dy1—O1—Cu1	167.33 (11)	O11—Dy1—S1—O14	95.02 (13)
O15—Dy1—O1—Cu1	−86.02 (10)	O9—Dy1—S1—O13	174.00 (10)
O3—Dy1—O1—Cu1	−4.38 (9)	O1—Dy1—S1—O13	−116.77 (10)
O7—Dy1—O1—Cu1	−152.25 (8)	O3—Dy1—S1—O13	−41.72 (10)
O5—Dy1—O1—Cu1	−35.83 (15)	O7—Dy1—S1—O13	105.34 (10)
O12—Dy1—O1—Cu1	102.45 (10)	O5—Dy1—S1—O13	30.71 (10)
O11—Dy1—O1—Cu1	74.82 (10)	O12—Dy1—S1—O13	84.70 (12)
S1—Dy1—O1—Cu1	89.10 (9)	O11—Dy1—S1—O13	−86.89 (13)
N1—C1—O2—Cu1	−11.0 (3)	O9—Dy1—S1—O11	−99.11 (9)
C2—C1—O2—Cu1	169.32 (17)	O1—Dy1—S1—O11	−29.88 (9)
O1—Cu1—O2—C1	13.33 (14)	O3—Dy1—S1—O11	45.17 (9)
N4—Cu1—O2—C1	−163.92 (14)	O7—Dy1—S1—O11	−167.77 (9)
C3—N3—O3—Cu2	−5.1 (2)	O5—Dy1—S1—O11	117.60 (9)
Cu1—N3—O3—Cu2	158.33 (11)	O12—Dy1—S1—O11	171.58 (12)
C3—N3—O3—Dy1	179.18 (15)	O9—Dy1—S1—O12	89.30 (9)
Cu1—N3—O3—Dy1	−17.4 (2)	O1—Dy1—S1—O12	158.54 (9)
N5—Cu2—O3—N3	−168.33 (14)	O3—Dy1—S1—O12	−126.42 (9)
O4—Cu2—O3—N3	7.18 (13)	O7—Dy1—S1—O12	20.65 (9)
O19—Cu2—O3—N3	100.33 (18)	O5—Dy1—S1—O12	−53.98 (9)
N5—Cu2—O3—Dy1	6.98 (11)	O11—Dy1—S1—O12	−171.58 (12)
O4—Cu2—O3—Dy1	−177.51 (11)	O27^i—O26—S2—O28^i	−123.4 (3)
O19—Cu2—O3—Dy1	−84.36 (17)	O25^i—O26—S2—O28^i	121.1 (3)
O9—Dy1—O3—N3	−2.2 (2)	O28^i—O26—S2—O28	180.0
O15—Dy1—O3—N3	89.88 (15)	O27^i—O26—S2—O28	56.6 (3)
O1—Dy1—O3—N3	11.43 (15)	O25^i—O26—S2—O28	−58.9 (3)
O7—Dy1—O3—N3	150.74 (13)	O28^i—O26—S2—O27^i	123.4 (3)
O5—Dy1—O3—N3	170.69 (16)	O25^i—O26—S2—O27^i	−115.5 (3)
O12—Dy1—O3—N3	−115.18 (15)	O28^i—O26—S2—O27	−56.6 (3)
O11—Dy1—O3—N3	−69.32 (15)	O27^i—O26—S2—O27	180.001 (2)
S1—Dy1—O3—N3	−89.98 (15)	O25^i—O26—S2—O27	64.5 (3)
O9—Dy1—O3—Cu2	−176.93 (8)	O28^i—O26—S2—O25	58.9 (3)
O15—Dy1—O3—Cu2	−84.84 (11)	O27^i—O26—S2—O25	−64.5 (3)
O1—Dy1—O3—Cu2	−163.29 (12)	O25^i—O26—S2—O25	180.001 (1)
O7—Dy1—O3—Cu2	−23.98 (17)	O28^i—O26—S2—O25^i	−121.1 (3)
O5—Dy1—O3—Cu2	−4.03 (10)	O27^i—O26—S2—O25^i	115.5 (3)
O12—Dy1—O3—Cu2	70.09 (12)	O27^i—O28—S2—O26^i	124.7 (2)
O11—Dy1—O3—Cu2	115.96 (12)	O25^i—O28—S2—O26^i	−122.8 (2)
S1—Dy1—O3—Cu2	95.29 (10)	O26^i—O28—S2—O26	180.0
N3—C3—O4—Cu2	7.8 (3)	O27^i—O28—S2—O26	−55.3 (2)
C4—C3—O4—Cu2	−171.68 (17)	O25^i—O28—S2—O26	57.2 (2)
O3—Cu2—O4—C3	−7.95 (14)	O26^i—O28—S2—O27^i	−124.7 (2)
N6—Cu2—O4—C3	165.90 (14)	O25^i—O28—S2—O27^i	112.4 (2)
O19—Cu2—O4—C3	−104.93 (18)	O26^i—O28—S2—O27	55.3 (2)
C5—N5—O5—Cu3	−9.6 (2)	O27^i—O28—S2—O27	179.998 (1)
Cu2—N5—O5—Cu3	163.82 (11)	O25^i—O28—S2—O27	−67.6 (2)
C5—N5—O5—Dy1	−165.52 (14)	O26^i—O28—S2—O25	−57.2 (2)
Cu2—N5—O5—Dy1	7.9 (2)	O27^i—O28—S2—O25	67.6 (2)
N7—Cu3—O5—N5	−173.25 (13)	O25^i—O28—S2—O25	180.0
O6—Cu3—O5—N5	11.07 (13)	O26^i—O28—S2—O25^i	122.8 (2)
N8—Cu3—O5—N5	134.1 (4)	O27^i—O28—S2—O25^i	−112.4 (2)
N7—Cu3—O5—Dy1	−17.39 (10)	O28^i—O27—S2—O26^i	−127.0 (2)
O6—Cu3—O5—Dy1	166.93 (10)	O26^i—O27—S2—O26	180.000 (2)
N8—Cu3—O5—Dy1	−70.0 (4)	O28^i—O27—S2—O26	53.0 (2)
O9—Dy1—O5—N5	170.97 (13)	O26^i—O27—S2—O28^i	127.0 (2)
O15—Dy1—O5—N5	79.48 (15)	O26^i—O27—S2—O28	−53.0 (2)
O1—Dy1—O5—N5	29.82 (19)	O28^i—O27—S2—O28	180.000 (1)
O3—Dy1—O5—N5	−2.10 (14)	O26^i—O27—S2—O25	61.0 (2)
O7—Dy1—O5—N5	165.32 (16)	O28^i—O27—S2—O25	−65.9 (2)
O12—Dy1—O5—N5	−119.03 (15)	O26^i—O27—S2—O25^i	−119.0 (2)
O11—Dy1—O5—N5	−67.97 (16)	O28^i—O27—S2—O25^i	114.1 (2)
S1—Dy1—O5—N5	−95.66 (15)	O28^i—O25—S2—O26^i	125.6 (2)
O9—Dy1—O5—Cu3	19.11 (15)	O26^i—O25—S2—O26	180.000 (1)
O15—Dy1—O5—Cu3	−72.38 (9)	O28^i—O25—S2—O26	−54.4 (2)
O1—Dy1—O5—Cu3	−122.04 (9)	O26^i—O25—S2—O28^i	−125.6 (2)
O3—Dy1—O5—Cu3	−153.96 (10)	O26^i—O25—S2—O28	54.4 (2)
O7—Dy1—O5—Cu3	13.46 (8)	O28^i—O25—S2—O28	180.0
O12—Dy1—O5—Cu3	89.11 (9)	O26^i—O25—S2—O27^i	119.4 (2)
O11—Dy1—O5—Cu3	140.17 (8)	O28^i—O25—S2—O27^i	−115.0 (2)
S1—Dy1—O5—Cu3	112.48 (8)	O26^i—O25—S2—O27	−60.6 (2)
N5—C5—O6—Cu3	8.9 (3)	O28^i—O25—S2—O27	65.0 (2)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O15^ii	0.92	2.05	2.935 (3)	161
N2—H2B···O27	0.92	2.53	3.408 (4)	159
N2—H2B···O28^i	0.92	2.05	2.847 (4)	144
N4—H4B···O2^iii	0.92	2.33	3.190 (3)	156
N4—H4A···O25^iii	0.92	1.98	2.766 (4)	143
N4—H4A···O27^iv	0.92	2.14	3.004 (4)	155
N6—H6A···O13^iv	0.92	2.24	3.155 (3)	174
N6—H6B···O24^v	0.92	2.20	2.957 (3)	140
N8—H8B···O12^v	0.92	2.03	2.938 (2)	168
N8—H8A···O23	0.92	2.18	3.023 (3)	152
N10—H10A···O20^vi	0.92	2.24	2.984 (3)	137
N10—H10B···O22^vii	0.92	2.11	2.906 (3)	145
O15—H15B···O16	0.82 (2)	1.89 (2)	2.696 (2)	171 (3)
O15—H15A···O21	0.82 (2)	1.86 (2)	2.665 (2)	167 (3)
O16—H16A···O17^iv	0.83 (2)	1.95 (2)	2.776 (2)	173 (3)
O16—H16B···O22	0.82 (2)	1.90 (2)	2.714 (3)	170 (3)
O17—H17B···O6^v	0.82 (2)	1.91 (2)	2.726 (2)	177 (3)
O17—H17A···O12	0.82 (2)	2.09 (2)	2.885 (2)	165 (3)
O18—H18B···O14	0.81 (2)	1.92 (2)	2.726 (2)	177 (4)
O18—H18A···O26^i	0.84 (2)	2.03 (2)	2.855 (4)	169 (3)
O18—H18A···O27	0.84 (2)	1.94 (3)	2.644 (4)	140 (3)
O19—H19A···O24^viii	0.84 (2)	1.73 (3)	2.555 (5)	164 (10)
O19—H19B···O24^v	0.85 (2)	2.10 (5)	2.881 (5)	153 (10)
O20—H20B···O11	0.83 (2)	2.13 (2)	2.948 (2)	169 (3)
O20—H20A···O25	0.81 (2)	1.95 (2)	2.719 (4)	157 (4)
O20—H20A···O26^i	0.81 (2)	2.15 (2)	2.898 (4)	154 (3)
O21—H21B···O10^ii	0.84 (2)	1.89 (2)	2.720 (2)	171 (4)
O21—H21A···O18^iv	0.83 (2)	1.94 (2)	2.751 (3)	167 (4)
O22—H22B···O23	0.83 (2)	1.89 (2)	2.704 (3)	166 (4)
O22—H22A···O26^ii	0.84 (2)	2.18 (2)	2.964 (4)	156 (4)
O22—H22A···O28^ix	0.84 (2)	1.93 (2)	2.727 (4)	158 (4)
O23—H23A···O4^vi	0.83 (2)	1.91 (2)	2.727 (2)	170 (3)
O23—H23B···O13^ix	0.83 (2)	2.02 (2)	2.847 (2)	172 (3)
O24—H24B···O8	0.84 (2)	1.99 (2)	2.805 (3)	162 (4)
O24—H24A···O11^vi	0.83 (2)	2.18 (2)	3.002 (3)	172 (5)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) x+1, y+1, z.

(VII) hexaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) heptaaquapentakis[µ₃- glycinehydroxamato(2-)]sulfatopentacopper(II)holmium(III) sulfate hexahydrate

Crystal data

[Cu5Ho(C2H4N2O2)5(SO4)(H2O)6.5]2(SO4)·6H2O	Z = 1
Mr = 2476.46	F(000) = 1218
Triclinic, P1	Dx = 2.416 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.5859 (8) Å	Cell parameters from 9981 reflections
b = 11.5639 (10) Å	θ = 2.4–30.6°
c = 16.1967 (14) Å	µ = 5.57 mm^−1
α = 99.779 (1)°	T = 100 K
β = 91.453 (1)°	Plate, blue
γ = 105.284 (1)°	0.43 × 0.41 × 0.10 mm
V = 1702.1 (3) Å^3

Data collection

Bruker SMART APEX CCD area-detector diffractometer	9744 independent reflections
Radiation source: fine-focus sealed tube	8636 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
ω scans	θmax = 31.0°, θmin = 1.3°
Absorption correction: multi-scan (APEX2; Bruker, 2009)	h = −13→13
Tmin = 0.459, Tmax = 0.746	k = −16→16
20988 measured reflections	l = −22→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.082	H atoms treated by a mixture of independent and constrained refinement
S = 1.03	w = 1/[σ^2(Fo^2) + (0.045P)^2 + 2.4215P] where P = (Fo^2 + 2Fc^2)/3
9744 reflections	(Δ/σ)max = 0.001
562 parameters	Δρmax = 3.27 e Å^−3
20 restraints	Δρmin = −2.35 e Å^−3

Special details

Experimental. The structure is isostructural with the Dy analogue (AVP85_10mz121_0m) and was solved by isomorphous replacement. The water molecule of O19 is disordered over two mutually exclusive positions across an inversion centre and was refined as half occupied. The non-coordinated sulfate anion is located on an inversion centre and the O atoms are disordered over two sets of positions with half occupancy.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.4446 (3)	0.2630 (3)	0.50449 (19)	0.0112 (5)
C2	0.3630 (4)	0.2950 (3)	0.5789 (2)	0.0145 (6)
H2C	0.3243	0.2218	0.6042	0.017*
H2D	0.4294	0.3579	0.6219	0.017*
C3	0.6784 (3)	0.0433 (3)	0.24872 (19)	0.0110 (5)
C4	0.6928 (4)	−0.0360 (3)	0.3107 (2)	0.0168 (6)
H4C	0.6321	−0.1201	0.2896	0.020*
H4D	0.7949	−0.0386	0.3165	0.020*
C5	0.7887 (3)	0.3483 (3)	0.03154 (19)	0.0120 (6)
C6	0.8863 (4)	0.2705 (3)	−0.0017 (2)	0.0151 (6)
H6C	0.8754	0.2532	−0.0639	0.018*
H6D	0.9886	0.3153	0.0160	0.018*
C7	0.5259 (3)	0.6984 (3)	0.13099 (19)	0.0113 (6)
C8	0.6019 (3)	0.7507 (3)	0.05962 (19)	0.0115 (6)
H8C	0.5316	0.7360	0.0106	0.014*
H8D	0.6437	0.8398	0.0770	0.014*
C9	0.2134 (3)	0.5790 (3)	0.38853 (19)	0.0123 (6)
C10	0.1618 (4)	0.6884 (3)	0.3797 (2)	0.0152 (6)
H10C	0.0561	0.6625	0.3645	0.018*
H10D	0.1796	0.7457	0.4342	0.018*
Cu1	0.57617 (4)	0.15575 (4)	0.38928 (2)	0.01223 (8)
Cu2	0.71638 (4)	0.16375 (4)	0.12391 (2)	0.01391 (8)
Cu3	0.68532 (4)	0.53550 (3)	0.08105 (2)	0.01032 (8)
Cu4	0.34924 (4)	0.64593 (3)	0.24898 (2)	0.01027 (8)
Cu5	0.28017 (4)	0.39769 (4)	0.44300 (2)	0.01060 (8)
Ho1	0.483554 (14)	0.356948 (12)	0.243231 (8)	0.00839 (4)
N1	0.4250 (3)	0.3142 (2)	0.44121 (16)	0.0111 (5)
N2	0.2418 (3)	0.3415 (3)	0.55279 (17)	0.0140 (5)
H2A	0.2336	0.4053	0.5930	0.017*
H2B	0.1562	0.2807	0.5471	0.017*
N3	0.6109 (3)	0.1243 (2)	0.27316 (16)	0.0117 (5)
N4	0.6476 (3)	0.0099 (3)	0.39429 (18)	0.0164 (6)
H4A	0.7250	0.0303	0.4337	0.020*
H4B	0.5753	−0.0503	0.4102	0.020*
N5	0.7026 (3)	0.3073 (2)	0.08673 (16)	0.0118 (5)
N6	0.8495 (3)	0.1541 (3)	0.03015 (17)	0.0125 (5)
H6A	0.9329	0.1392	0.0496	0.015*
H6B	0.8048	0.0910	−0.0127	0.015*
N7	0.5584 (3)	0.6039 (2)	0.14903 (16)	0.0112 (5)
N8	0.7192 (3)	0.6914 (2)	0.03629 (17)	0.0122 (5)
H8A	0.8075	0.7432	0.0581	0.015*
H8B	0.7207	0.6752	−0.0212	0.015*
N9	0.2912 (3)	0.5461 (2)	0.32994 (16)	0.0109 (5)
N10	0.2379 (3)	0.7512 (3)	0.31437 (19)	0.0168 (6)
H10A	0.3006	0.8246	0.3393	0.020*
H10B	0.1715	0.7665	0.2787	0.020*
O1	0.5004 (2)	0.2884 (2)	0.37139 (13)	0.0113 (4)
O2	0.5278 (3)	0.1914 (2)	0.50599 (14)	0.0139 (4)
O3	0.6041 (3)	0.2012 (2)	0.21627 (14)	0.0144 (5)
O4	0.7329 (3)	0.0294 (2)	0.17632 (14)	0.0135 (4)
O5	0.6154 (2)	0.3813 (2)	0.11936 (14)	0.0111 (4)
O6	0.7976 (3)	0.4510 (2)	0.00770 (14)	0.0136 (4)
O7	0.4865 (2)	0.5538 (2)	0.21332 (14)	0.0118 (4)
O8	0.4328 (2)	0.7480 (2)	0.16997 (14)	0.0132 (4)
O9	0.3451 (2)	0.4477 (2)	0.33895 (14)	0.0123 (4)
O10	0.1793 (3)	0.5242 (2)	0.45155 (14)	0.0139 (4)
O11	0.2884 (3)	0.1710 (2)	0.22320 (14)	0.0144 (4)
O12	0.2753 (2)	0.3230 (2)	0.14621 (14)	0.0123 (4)
O13	0.1476 (3)	0.1123 (2)	0.08720 (15)	0.0160 (5)
O14	0.0578 (3)	0.2190 (3)	0.20532 (15)	0.0201 (5)
O15	0.7207 (3)	0.4611 (2)	0.30091 (15)	0.0140 (4)
H15A	0.764 (5)	0.419 (4)	0.324 (3)	0.021*
H15B	0.774 (4)	0.493 (4)	0.266 (2)	0.021*
O16	0.8856 (3)	0.5777 (2)	0.19212 (16)	0.0179 (5)
H16A	0.963 (3)	0.562 (4)	0.179 (3)	0.027*
H16B	0.908 (5)	0.652 (2)	0.212 (3)	0.027*
O17	0.1412 (3)	0.5201 (2)	0.15210 (15)	0.0152 (5)
H17A	0.165 (5)	0.460 (3)	0.159 (3)	0.023*
H17B	0.158 (5)	0.531 (4)	0.1035 (15)	0.023*
O18	0.0699 (3)	0.2514 (2)	0.37602 (15)	0.0175 (5)
H18A	0.050 (5)	0.182 (2)	0.389 (3)	0.026*
H18B	0.073 (5)	0.242 (4)	0.3244 (13)	0.026*
O19	0.5192 (7)	0.0424 (8)	0.0276 (4)	0.0351 (15)	0.50
H19A	0.455 (12)	−0.006 (10)	0.049 (8)	0.053*	0.50
H19B	0.522 (18)	0.022 (14)	−0.025 (2)	0.053*	0.50
O20	0.3098 (3)	0.0225 (2)	0.35113 (16)	0.0193 (5)
H20A	0.256 (4)	0.027 (4)	0.390 (2)	0.029*
H20B	0.295 (5)	0.069 (4)	0.320 (3)	0.029*
O21	0.8267 (3)	0.3340 (3)	0.39697 (16)	0.0218 (5)
H21A	0.906 (3)	0.318 (5)	0.396 (3)	0.033*
H21B	0.830 (6)	0.373 (4)	0.4449 (17)	0.033*
O22	0.9753 (3)	0.8145 (3)	0.27073 (18)	0.0267 (6)
H22A	0.984 (6)	0.859 (4)	0.3181 (19)	0.040*
H22B	0.971 (6)	0.857 (4)	0.234 (3)	0.040*
O23	0.9411 (3)	0.9122 (2)	0.13432 (16)	0.0172 (5)
H23A	0.887 (4)	0.955 (4)	0.152 (3)	0.026*
H23B	1.006 (4)	0.967 (3)	0.120 (3)	0.026*
O24	0.3415 (4)	0.9425 (3)	0.12684 (19)	0.0383 (8)
H24A	0.333 (7)	1.003 (4)	0.160 (3)	0.057*
H24B	0.361 (7)	0.891 (4)	0.153 (4)	0.057*
O25	0.1640 (5)	0.0384 (6)	0.4922 (3)	0.0245 (11)	0.50
O26	−0.0308 (6)	−0.0161 (5)	0.5825 (3)	0.0184 (10)	0.50
O27	−0.0512 (6)	0.1039 (5)	0.4776 (3)	0.0197 (10)	0.50
O28	−0.0603 (6)	−0.1081 (5)	0.4354 (3)	0.0206 (10)	0.50
S1	0.18660 (8)	0.20304 (7)	0.16466 (5)	0.01156 (14)
S2	0.0000	0.0000	0.5000	0.0140 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.0124 (14)	0.0099 (14)	0.0122 (13)	0.0048 (11)	0.0004 (11)	0.0021 (11)
C2	0.0165 (15)	0.0203 (16)	0.0110 (13)	0.0105 (13)	0.0051 (11)	0.0052 (12)
C3	0.0089 (13)	0.0108 (14)	0.0135 (13)	0.0027 (11)	0.0001 (10)	0.0033 (11)
C4	0.0249 (17)	0.0165 (16)	0.0139 (14)	0.0141 (14)	0.0016 (12)	0.0026 (12)
C5	0.0109 (14)	0.0123 (14)	0.0123 (13)	0.0036 (11)	0.0009 (11)	0.0003 (11)
C6	0.0171 (15)	0.0131 (15)	0.0169 (15)	0.0070 (12)	0.0072 (12)	0.0022 (12)
C7	0.0089 (13)	0.0111 (14)	0.0129 (13)	0.0019 (11)	0.0006 (11)	0.0008 (11)
C8	0.0120 (14)	0.0127 (14)	0.0113 (13)	0.0045 (11)	0.0033 (11)	0.0037 (11)
C9	0.0109 (14)	0.0147 (15)	0.0134 (14)	0.0065 (11)	0.0016 (11)	0.0033 (11)
C10	0.0167 (15)	0.0190 (16)	0.0146 (14)	0.0116 (13)	0.0047 (12)	0.0045 (12)
Cu1	0.01588 (19)	0.01360 (19)	0.01084 (17)	0.00919 (15)	0.00351 (14)	0.00360 (14)
Cu2	0.0179 (2)	0.01229 (19)	0.01563 (18)	0.00854 (15)	0.00953 (15)	0.00553 (15)
Cu3	0.01159 (17)	0.01060 (18)	0.01053 (17)	0.00461 (14)	0.00480 (13)	0.00362 (13)
Cu4	0.01066 (17)	0.01076 (18)	0.01177 (17)	0.00559 (14)	0.00386 (13)	0.00393 (13)
Cu5	0.01121 (18)	0.01340 (19)	0.01016 (17)	0.00670 (14)	0.00456 (13)	0.00448 (14)
Ho1	0.00809 (7)	0.00929 (7)	0.00917 (7)	0.00389 (5)	0.00270 (5)	0.00278 (5)
N1	0.0114 (12)	0.0125 (13)	0.0109 (11)	0.0050 (10)	0.0039 (9)	0.0036 (9)
N2	0.0145 (13)	0.0161 (14)	0.0144 (12)	0.0074 (10)	0.0055 (10)	0.0052 (10)
N3	0.0156 (13)	0.0126 (13)	0.0106 (11)	0.0077 (10)	0.0035 (10)	0.0054 (10)
N4	0.0207 (14)	0.0182 (14)	0.0157 (13)	0.0113 (12)	0.0083 (11)	0.0074 (11)
N5	0.0110 (12)	0.0131 (13)	0.0119 (12)	0.0055 (10)	0.0028 (9)	0.0005 (10)
N6	0.0134 (12)	0.0125 (13)	0.0130 (12)	0.0065 (10)	0.0029 (10)	0.0011 (10)
N7	0.0116 (12)	0.0110 (12)	0.0122 (12)	0.0030 (10)	0.0046 (9)	0.0049 (10)
N8	0.0118 (12)	0.0139 (13)	0.0121 (12)	0.0048 (10)	0.0050 (9)	0.0034 (10)
N9	0.0123 (12)	0.0124 (13)	0.0116 (11)	0.0081 (10)	0.0035 (9)	0.0039 (9)
N10	0.0156 (13)	0.0120 (13)	0.0243 (15)	0.0057 (10)	0.0072 (11)	0.0036 (11)
O1	0.0124 (10)	0.0154 (11)	0.0100 (10)	0.0084 (9)	0.0063 (8)	0.0049 (8)
O2	0.0164 (11)	0.0157 (12)	0.0129 (10)	0.0090 (9)	0.0030 (8)	0.0045 (9)
O3	0.0213 (12)	0.0160 (12)	0.0124 (10)	0.0131 (9)	0.0077 (9)	0.0068 (9)
O4	0.0157 (11)	0.0125 (11)	0.0152 (10)	0.0078 (9)	0.0061 (9)	0.0034 (8)
O5	0.0103 (10)	0.0120 (11)	0.0133 (10)	0.0061 (8)	0.0055 (8)	0.0032 (8)
O6	0.0152 (11)	0.0144 (11)	0.0137 (10)	0.0064 (9)	0.0067 (8)	0.0042 (8)
O7	0.0139 (10)	0.0121 (11)	0.0134 (10)	0.0069 (8)	0.0073 (8)	0.0073 (8)
O8	0.0138 (11)	0.0122 (11)	0.0163 (11)	0.0064 (9)	0.0058 (8)	0.0047 (9)
O9	0.0142 (11)	0.0127 (11)	0.0147 (10)	0.0092 (9)	0.0048 (8)	0.0057 (8)
O10	0.0160 (11)	0.0182 (12)	0.0120 (10)	0.0099 (9)	0.0067 (8)	0.0061 (9)
O11	0.0163 (11)	0.0129 (11)	0.0142 (10)	0.0027 (9)	0.0000 (9)	0.0049 (9)
O12	0.0127 (10)	0.0117 (11)	0.0129 (10)	0.0026 (8)	−0.0007 (8)	0.0043 (8)
O13	0.0185 (12)	0.0145 (12)	0.0129 (10)	0.0022 (9)	−0.0005 (9)	0.0006 (9)
O14	0.0120 (11)	0.0305 (14)	0.0166 (11)	0.0051 (10)	0.0038 (9)	0.0022 (10)
O15	0.0118 (11)	0.0183 (12)	0.0137 (11)	0.0047 (9)	0.0030 (8)	0.0063 (9)
O16	0.0128 (11)	0.0224 (13)	0.0186 (12)	0.0038 (10)	0.0038 (9)	0.0052 (10)
O17	0.0182 (12)	0.0186 (12)	0.0113 (10)	0.0071 (9)	0.0036 (9)	0.0055 (9)
O18	0.0163 (12)	0.0208 (13)	0.0146 (11)	0.0048 (10)	0.0034 (9)	0.0013 (10)
O19	0.029 (3)	0.042 (4)	0.026 (3)	−0.006 (3)	0.001 (3)	0.008 (3)
O20	0.0229 (13)	0.0161 (12)	0.0202 (12)	0.0058 (10)	0.0071 (10)	0.0054 (10)
O21	0.0174 (12)	0.0339 (16)	0.0168 (12)	0.0146 (11)	0.0005 (10)	0.0002 (11)
O22	0.0339 (16)	0.0287 (16)	0.0235 (14)	0.0184 (13)	0.0015 (12)	0.0053 (11)
O23	0.0143 (11)	0.0142 (12)	0.0237 (12)	0.0050 (9)	0.0049 (9)	0.0026 (10)
O24	0.070 (2)	0.0323 (18)	0.0198 (14)	0.0345 (17)	−0.0140 (14)	−0.0044 (12)
O25	0.012 (2)	0.040 (3)	0.024 (3)	0.005 (2)	0.004 (2)	0.016 (2)
O26	0.023 (3)	0.022 (3)	0.012 (2)	0.006 (2)	0.0072 (18)	0.0076 (19)
O27	0.025 (3)	0.014 (2)	0.026 (3)	0.010 (2)	0.006 (2)	0.011 (2)
O28	0.029 (3)	0.012 (2)	0.017 (2)	−0.001 (2)	0.006 (2)	0.0013 (18)
S1	0.0105 (3)	0.0128 (4)	0.0109 (3)	0.0021 (3)	0.0014 (3)	0.0028 (3)
S2	0.0128 (5)	0.0139 (5)	0.0158 (5)	0.0048 (4)	−0.0013 (4)	0.0023 (4)

Geometric parameters (Å, º)

C1—O2	1.294 (4)	Ho1—O11	2.417 (2)
C1—N1	1.301 (4)	Ho1—S1	3.0440 (8)
C1—C2	1.501 (4)	N1—O1	1.389 (3)
C2—N2	1.483 (4)	N2—H2A	0.9200
C2—H2C	0.9900	N2—H2B	0.9200
C2—H2D	0.9900	N3—O3	1.396 (3)
C3—N3	1.288 (4)	N4—H4A	0.9200
C3—O4	1.298 (4)	N4—H4B	0.9200
C3—C4	1.496 (4)	N5—O5	1.398 (3)
C4—N4	1.486 (4)	N6—H6A	0.9200
C4—H4C	0.9900	N6—H6B	0.9200
C4—H4D	0.9900	N7—O7	1.388 (3)
C5—O6	1.293 (4)	N8—H8A	0.9200
C5—N5	1.296 (4)	N8—H8B	0.9200
C5—C6	1.510 (4)	N9—O9	1.395 (3)
C6—N6	1.482 (4)	N10—H10A	0.9200
C6—H6C	0.9900	N10—H10B	0.9200
C6—H6D	0.9900	O11—S1	1.501 (2)
C7—N7	1.288 (4)	O12—S1	1.506 (2)
C7—O8	1.303 (4)	O13—S1	1.462 (2)
C7—C8	1.510 (4)	O14—S1	1.453 (2)
C8—N8	1.489 (4)	O15—H15A	0.842 (19)
C8—H8C	0.9900	O15—H15B	0.833 (19)
C8—H8D	0.9900	O16—H16A	0.834 (19)
C9—N9	1.290 (4)	O16—H16B	0.828 (19)
C9—O10	1.296 (4)	O17—H17A	0.820 (19)
C9—C10	1.501 (4)	O17—H17B	0.830 (19)
C10—N10	1.484 (4)	O18—H18A	0.837 (19)
C10—H10C	0.9900	O18—H18B	0.827 (19)
C10—H10D	0.9900	O19—H19A	0.84 (2)
Cu1—N3	1.909 (3)	O19—H19B	0.84 (2)
Cu1—O1	1.922 (2)	O20—H20A	0.831 (19)
Cu1—O2	1.959 (2)	O20—H20B	0.826 (19)
Cu1—N4	1.993 (3)	O21—H21A	0.830 (19)
Cu2—N5	1.893 (3)	O21—H21B	0.826 (19)
Cu2—O3	1.921 (2)	O22—H22A	0.838 (19)
Cu2—O4	1.931 (2)	O22—H22B	0.837 (19)
Cu2—N6	2.016 (3)	O23—H23A	0.834 (19)
Cu2—O19	2.384 (7)	O23—H23B	0.836 (19)
Cu3—N7	1.897 (3)	O24—H24A	0.84 (2)
Cu3—O6	1.936 (2)	O24—H24B	0.84 (2)
Cu3—O5	1.945 (2)	O25—S2	1.532 (5)
Cu3—N8	2.007 (3)	O25—O26^i	1.675 (7)
Cu4—N9	1.891 (3)	O25—O28^i	1.781 (8)
Cu4—O8	1.934 (2)	O26—S2	1.408 (5)
Cu4—O7	1.941 (2)	O26—O28^i	1.550 (7)
Cu4—N10	2.011 (3)	O26—O27^i	1.649 (7)
Cu5—N1	1.887 (3)	O26—O25^i	1.675 (7)
Cu5—O9	1.938 (2)	O27—S2	1.505 (5)
Cu5—O10	1.944 (2)	O27—O26^i	1.649 (7)
Cu5—N2	2.005 (3)	O27—O28^i	1.732 (8)
Cu5—O18	2.360 (3)	O28—S2	1.461 (5)
Ho1—O9	2.356 (2)	O28—O26^i	1.550 (7)
Ho1—O15	2.357 (2)	O28—O27^i	1.732 (8)
Ho1—O1	2.360 (2)	O28—O25^i	1.781 (8)
Ho1—O3	2.372 (2)	S2—O26^i	1.408 (5)
Ho1—O7	2.400 (2)	S2—O28^i	1.461 (5)
Ho1—O12	2.414 (2)	S2—O27^i	1.505 (5)
Ho1—O5	2.416 (2)	S2—O25^i	1.532 (5)
O2—C1—N1	124.6 (3)	C3—N3—Cu1	118.0 (2)
O2—C1—C2	121.2 (3)	O3—N3—Cu1	125.18 (19)
N1—C1—C2	114.2 (3)	C4—N4—Cu1	110.0 (2)
N2—C2—C1	110.1 (3)	C4—N4—H4A	109.7
N2—C2—H2C	109.6	Cu1—N4—H4A	109.7
C1—C2—H2C	109.6	C4—N4—H4B	109.7
N2—C2—H2D	109.6	Cu1—N4—H4B	109.7
C1—C2—H2D	109.6	H4A—N4—H4B	108.2
H2C—C2—H2D	108.2	C5—N5—O5	115.5 (3)
N3—C3—O4	124.0 (3)	C5—N5—Cu2	118.8 (2)
N3—C3—C4	115.3 (3)	O5—N5—Cu2	125.43 (19)
O4—C3—C4	120.7 (3)	C6—N6—Cu2	109.72 (18)
N4—C4—C3	111.5 (3)	C6—N6—H6A	109.7
N4—C4—H4C	109.3	Cu2—N6—H6A	109.7
C3—C4—H4C	109.3	C6—N6—H6B	109.7
N4—C4—H4D	109.3	Cu2—N6—H6B	109.7
C3—C4—H4D	109.3	H6A—N6—H6B	108.2
H4C—C4—H4D	108.0	C7—N7—O7	116.2 (2)
O6—C5—N5	123.8 (3)	C7—N7—Cu3	118.6 (2)
O6—C5—C6	120.6 (3)	O7—N7—Cu3	124.87 (19)
N5—C5—C6	115.6 (3)	C8—N8—Cu3	109.92 (19)
N6—C6—C5	110.7 (3)	C8—N8—H8A	109.7
N6—C6—H6C	109.5	Cu3—N8—H8A	109.7
C5—C6—H6C	109.5	C8—N8—H8B	109.7
N6—C6—H6D	109.5	Cu3—N8—H8B	109.7
C5—C6—H6D	109.5	H8A—N8—H8B	108.2
H6C—C6—H6D	108.1	C9—N9—O9	116.1 (3)
N7—C7—O8	123.8 (3)	C9—N9—Cu4	119.1 (2)
N7—C7—C8	116.0 (3)	O9—N9—Cu4	124.01 (18)
O8—C7—C8	120.2 (3)	C10—N10—Cu4	109.7 (2)
N8—C8—C7	109.2 (2)	C10—N10—H10A	109.7
N8—C8—H8C	109.8	Cu4—N10—H10A	109.7
C7—C8—H8C	109.8	C10—N10—H10B	109.7
N8—C8—H8D	109.8	Cu4—N10—H10B	109.7
C7—C8—H8D	109.8	H10A—N10—H10B	108.2
H8C—C8—H8D	108.3	N1—O1—Cu1	106.06 (17)
N9—C9—O10	124.3 (3)	N1—O1—Ho1	125.68 (17)
N9—C9—C10	115.4 (3)	Cu1—O1—Ho1	126.38 (10)
O10—C9—C10	120.4 (3)	C1—O2—Cu1	104.31 (19)
N10—C10—C9	110.9 (3)	N3—O3—Cu2	108.34 (16)
N10—C10—H10C	109.5	N3—O3—Ho1	122.22 (16)
C9—C10—H10C	109.5	Cu2—O3—Ho1	129.30 (11)
N10—C10—H10D	109.5	C3—O4—Cu2	107.07 (19)
C9—C10—H10D	109.5	N5—O5—Cu3	106.86 (17)
H10C—C10—H10D	108.1	N5—O5—Ho1	124.07 (17)
N3—Cu1—O1	90.30 (10)	Cu3—O5—Ho1	124.20 (10)
N3—Cu1—O2	175.77 (10)	C5—O6—Cu3	107.09 (19)
O1—Cu1—O2	86.22 (9)	N7—O7—Cu4	107.20 (17)
N3—Cu1—N4	83.96 (11)	N7—O7—Ho1	124.46 (17)
O1—Cu1—N4	173.53 (11)	Cu4—O7—Ho1	126.00 (10)
O2—Cu1—N4	99.38 (10)	C7—O8—Cu4	106.9 (2)
N5—Cu2—O3	89.10 (10)	N9—O9—Cu5	107.07 (16)
N5—Cu2—O4	172.62 (11)	N9—O9—Ho1	126.09 (17)
O3—Cu2—O4	85.11 (9)	Cu5—O9—Ho1	126.82 (10)
N5—Cu2—N6	83.53 (11)	C9—O10—Cu5	106.59 (18)
O3—Cu2—N6	170.60 (11)	S1—O11—Ho1	99.30 (12)
O4—Cu2—N6	101.74 (10)	S1—O12—Ho1	99.25 (11)
N5—Cu2—O19	91.3 (2)	Ho1—O15—H15A	115 (3)
O3—Cu2—O19	97.39 (18)	Ho1—O15—H15B	113 (3)
O4—Cu2—O19	94.0 (2)	H15A—O15—H15B	108 (4)
N6—Cu2—O19	88.62 (18)	H16A—O16—H16B	105 (5)
N7—Cu3—O6	173.98 (11)	H17A—O17—H17B	108 (4)
N7—Cu3—O5	90.88 (10)	Cu5—O18—H18A	118 (3)
O6—Cu3—O5	85.07 (9)	Cu5—O18—H18B	111 (3)
N7—Cu3—N8	82.87 (11)	H18A—O18—H18B	107 (5)
O6—Cu3—N8	100.46 (10)	Cu2—O19—H19A	115 (10)
O5—Cu3—N8	169.57 (10)	Cu2—O19—H19B	126 (10)
N9—Cu4—O8	172.91 (11)	H19A—O19—H19B	114 (10)
N9—Cu4—O7	89.10 (10)	H20A—O20—H20B	106 (5)
O8—Cu4—O7	85.57 (9)	H21A—O21—H21B	103 (5)
N9—Cu4—N10	83.70 (11)	H22A—O22—H22B	108 (5)
O8—Cu4—N10	100.41 (11)	H23A—O23—H23B	97 (5)
O7—Cu4—N10	165.14 (12)	H24A—O24—H24B	111 (6)
N1—Cu5—O9	88.61 (10)	S2—O25—O26^i	51.9 (2)
N1—Cu5—O10	163.48 (12)	S2—O25—O28^i	51.7 (2)
O9—Cu5—O10	85.76 (9)	O26^i—O25—O28^i	88.6 (3)
N1—Cu5—N2	83.38 (11)	S2—O26—O28^i	59.0 (3)
O9—Cu5—N2	171.50 (10)	S2—O26—O27^i	58.3 (2)
O10—Cu5—N2	101.17 (10)	O28^i—O26—O27^i	97.6 (4)
N1—Cu5—O18	105.33 (11)	S2—O26—O25^i	58.8 (3)
O9—Cu5—O18	93.35 (10)	O28^i—O26—O25^i	96.4 (4)
O10—Cu5—O18	90.51 (10)	O27^i—O26—O25^i	92.3 (4)
N2—Cu5—O18	91.52 (11)	S2—O27—O26^i	52.8 (2)
O9—Ho1—O15	100.94 (8)	S2—O27—O28^i	53.1 (2)
O9—Ho1—O1	71.61 (7)	O26^i—O27—O28^i	91.1 (3)
O15—Ho1—O1	75.92 (8)	S2—O28—O26^i	55.7 (2)
O9—Ho1—O3	144.64 (8)	S2—O28—O27^i	55.5 (2)
O15—Ho1—O3	78.27 (9)	O26^i—O28—O27^i	94.0 (4)
O1—Ho1—O3	74.02 (7)	S2—O28—O25^i	55.3 (2)
O9—Ho1—O7	70.82 (7)	O26^i—O28—O25^i	92.9 (4)
O15—Ho1—O7	82.44 (8)	O27^i—O28—O25^i	86.0 (3)
O1—Ho1—O7	131.63 (8)	O14—S1—O13	110.89 (15)
O3—Ho1—O7	142.25 (8)	O14—S1—O11	111.29 (14)
O9—Ho1—O12	83.69 (8)	O13—S1—O11	111.44 (14)
O15—Ho1—O12	153.40 (8)	O14—S1—O12	110.03 (15)
O1—Ho1—O12	129.64 (8)	O13—S1—O12	110.19 (14)
O3—Ho1—O12	112.91 (8)	O11—S1—O12	102.71 (13)
O7—Ho1—O12	74.32 (8)	O14—S1—Ho1	119.14 (11)
O9—Ho1—O5	143.56 (8)	O13—S1—Ho1	129.94 (10)
O15—Ho1—O5	77.63 (8)	O11—S1—Ho1	51.58 (9)
O1—Ho1—O5	139.86 (7)	O12—S1—Ho1	51.52 (9)
O3—Ho1—O5	71.42 (7)	O26^i—S2—O26	180.000 (2)
O7—Ho1—O5	72.92 (7)	O26^i—S2—O28^i	114.6 (3)
O12—Ho1—O5	83.24 (8)	O26—S2—O28^i	65.4 (3)
O9—Ho1—O11	88.25 (8)	O26^i—S2—O28	65.4 (3)
O15—Ho1—O11	147.25 (8)	O26—S2—O28	114.6 (3)
O1—Ho1—O11	77.41 (8)	O28^i—S2—O28	180.000 (1)
O3—Ho1—O11	76.37 (8)	O26^i—S2—O27^i	111.1 (3)
O7—Ho1—O11	129.99 (8)	O26—S2—O27^i	68.9 (3)
O12—Ho1—O11	58.18 (8)	O28^i—S2—O27^i	108.6 (3)
O5—Ho1—O11	112.83 (8)	O28—S2—O27^i	71.4 (3)
O9—Ho1—S1	83.06 (6)	O26^i—S2—O27	68.9 (3)
O15—Ho1—S1	175.07 (6)	O26—S2—O27	111.1 (3)
O1—Ho1—S1	102.85 (6)	O28^i—S2—O27	71.4 (3)
O3—Ho1—S1	96.79 (6)	O28—S2—O27	108.6 (3)
O7—Ho1—S1	101.70 (6)	O27^i—S2—O27	179.999 (2)
O12—Ho1—S1	29.23 (6)	O26^i—S2—O25	69.3 (3)
O5—Ho1—S1	100.91 (6)	O26—S2—O25	110.7 (3)
O11—Ho1—S1	29.12 (6)	O28^i—S2—O25	73.0 (3)
C1—N1—O1	116.1 (2)	O28—S2—O25	107.0 (3)
C1—N1—Cu5	119.2 (2)	O27^i—S2—O25	75.8 (3)
O1—N1—Cu5	124.10 (19)	O27—S2—O25	104.2 (3)
C2—N2—Cu5	109.31 (19)	O26^i—S2—O25^i	110.7 (3)
C2—N2—H2A	109.8	O26—S2—O25^i	69.3 (3)
Cu5—N2—H2A	109.8	O28^i—S2—O25^i	107.0 (3)
C2—N2—H2B	109.8	O28—S2—O25^i	73.0 (3)
Cu5—N2—H2B	109.8	O27^i—S2—O25^i	104.2 (3)
H2A—N2—H2B	108.3	O27—S2—O25^i	75.8 (3)
C3—N3—O3	114.7 (2)	O25—S2—O25^i	179.998 (1)
O2—C1—C2—N2	−161.1 (3)	C6—C5—O6—Cu3	−168.4 (2)
N1—C1—C2—N2	19.8 (4)	O5—Cu3—O6—C5	−10.8 (2)
N3—C3—C4—N4	−9.9 (4)	N8—Cu3—O6—C5	178.2 (2)
O4—C3—C4—N4	169.4 (3)	C7—N7—O7—Cu4	3.2 (3)
O6—C5—C6—N6	−176.3 (3)	Cu3—N7—O7—Cu4	−171.03 (15)
N5—C5—C6—N6	6.4 (4)	C7—N7—O7—Ho1	166.7 (2)
N7—C7—C8—N8	−10.2 (4)	Cu3—N7—O7—Ho1	−7.6 (3)
O8—C7—C8—N8	170.4 (3)	N9—Cu4—O7—N7	−179.59 (19)
N9—C9—C10—N10	−12.1 (4)	O8—Cu4—O7—N7	−4.26 (18)
O10—C9—C10—N10	168.1 (3)	N10—Cu4—O7—N7	−118.8 (4)
O2—C1—N1—O1	−0.1 (5)	N9—Cu4—O7—Ho1	17.26 (15)
C2—C1—N1—O1	179.1 (3)	O8—Cu4—O7—Ho1	−167.41 (14)
O2—C1—N1—Cu5	171.3 (2)	N10—Cu4—O7—Ho1	78.1 (5)
C2—C1—N1—Cu5	−9.6 (4)	O9—Ho1—O7—N7	−179.6 (2)
O9—Cu5—N1—C1	175.1 (3)	O15—Ho1—O7—N7	76.0 (2)
O10—Cu5—N1—C1	105.1 (4)	O1—Ho1—O7—N7	139.5 (2)
N2—Cu5—N1—C1	−2.0 (3)	O3—Ho1—O7—N7	16.4 (3)
O18—Cu5—N1—C1	−91.8 (3)	O12—Ho1—O7—N7	−90.9 (2)
O9—Cu5—N1—O1	−14.2 (2)	O5—Ho1—O7—N7	−3.3 (2)
O10—Cu5—N1—O1	−84.2 (4)	O11—Ho1—O7—N7	−109.1 (2)
N2—Cu5—N1—O1	168.6 (3)	S1—Ho1—O7—N7	−101.3 (2)
O18—Cu5—N1—O1	78.8 (2)	O9—Ho1—O7—Cu4	−19.22 (13)
C1—C2—N2—Cu5	−20.2 (3)	O15—Ho1—O7—Cu4	−123.62 (14)
N1—Cu5—N2—C2	12.8 (2)	O1—Ho1—O7—Cu4	−60.12 (17)
O10—Cu5—N2—C2	−151.2 (2)	O3—Ho1—O7—Cu4	176.79 (11)
O18—Cu5—N2—C2	118.0 (2)	O12—Ho1—O7—Cu4	69.45 (14)
O4—C3—N3—O3	−2.1 (5)	O5—Ho1—O7—Cu4	157.06 (15)
C4—C3—N3—O3	177.2 (3)	O11—Ho1—O7—Cu4	51.27 (17)
O4—C3—N3—Cu1	−166.3 (2)	S1—Ho1—O7—Cu4	59.09 (13)
C4—C3—N3—Cu1	12.9 (4)	N7—C7—O8—Cu4	−4.4 (4)
O1—Cu1—N3—C3	173.9 (3)	C8—C7—O8—Cu4	175.0 (2)
N4—Cu1—N3—C3	−9.1 (3)	O7—Cu4—O8—C7	4.6 (2)
O1—Cu1—N3—O3	11.5 (2)	N10—Cu4—O8—C7	170.9 (2)
N4—Cu1—N3—O3	−171.5 (3)	C9—N9—O9—Cu5	−0.8 (3)
C3—C4—N4—Cu1	2.7 (4)	Cu4—N9—O9—Cu5	169.08 (15)
N3—Cu1—N4—C4	2.7 (2)	C9—N9—O9—Ho1	177.7 (2)
O2—Cu1—N4—C4	−179.9 (2)	Cu4—N9—O9—Ho1	−12.4 (3)
O6—C5—N5—O5	0.9 (5)	N1—Cu5—O9—N9	−162.01 (19)
C6—C5—N5—O5	178.1 (3)	O10—Cu5—O9—N9	2.45 (19)
O6—C5—N5—Cu2	−173.4 (2)	O18—Cu5—O9—N9	92.71 (18)
C6—C5—N5—Cu2	3.8 (4)	N1—Cu5—O9—Ho1	19.53 (15)
O3—Cu2—N5—C5	165.1 (3)	O10—Cu5—O9—Ho1	−176.01 (15)
N6—Cu2—N5—C5	−9.0 (2)	O18—Cu5—O9—Ho1	−85.75 (14)
O19—Cu2—N5—C5	−97.5 (3)	O15—Ho1—O9—N9	94.9 (2)
O3—Cu2—N5—O5	−8.6 (2)	O1—Ho1—O9—N9	165.9 (2)
N6—Cu2—N5—O5	177.2 (2)	O3—Ho1—O9—N9	180.0 (2)
O19—Cu2—N5—O5	88.8 (3)	O7—Ho1—O9—N9	16.9 (2)
C5—C6—N6—Cu2	−12.5 (3)	O12—Ho1—O9—N9	−58.6 (2)
N5—Cu2—N6—C6	11.7 (2)	O5—Ho1—O9—N9	10.9 (3)
O4—Cu2—N6—C6	−163.1 (2)	O11—Ho1—O9—N9	−116.8 (2)
O19—Cu2—N6—C6	103.1 (3)	S1—Ho1—O9—N9	−88.1 (2)
O8—C7—N7—O7	0.8 (5)	O15—Ho1—O9—Cu5	−86.95 (15)
C8—C7—N7—O7	−178.6 (3)	O1—Ho1—O9—Cu5	−15.93 (13)
O8—C7—N7—Cu3	175.4 (2)	O3—Ho1—O9—Cu5	−1.9 (2)
C8—C7—N7—Cu3	−4.0 (4)	O7—Ho1—O9—Cu5	−164.89 (16)
O5—Cu3—N7—C7	−159.6 (3)	O12—Ho1—O9—Cu5	119.55 (15)
N8—Cu3—N7—C7	12.0 (2)	O5—Ho1—O9—Cu5	−170.89 (11)
O5—Cu3—N7—O7	14.5 (2)	O11—Ho1—O9—Cu5	61.37 (14)
N8—Cu3—N7—O7	−173.9 (3)	S1—Ho1—O9—Cu5	90.12 (13)
C7—C8—N8—Cu3	18.2 (3)	N9—C9—O10—Cu5	4.5 (4)
N7—Cu3—N8—C8	−16.6 (2)	C10—C9—O10—Cu5	−175.6 (2)
O6—Cu3—N8—C8	158.4 (2)	N1—Cu5—O10—C9	66.8 (4)
O5—Cu3—N8—C8	37.0 (6)	O9—Cu5—O10—C9	−3.6 (2)
O10—C9—N9—O9	−2.7 (5)	N2—Cu5—O10—C9	171.4 (2)
C10—C9—N9—O9	177.4 (3)	O18—Cu5—O10—C9	−96.9 (2)
O10—C9—N9—Cu4	−173.1 (2)	O9—Ho1—O11—S1	78.85 (12)
C10—C9—N9—Cu4	7.0 (4)	O15—Ho1—O11—S1	−173.49 (11)
O7—Cu4—N9—C9	166.8 (3)	O1—Ho1—O11—S1	150.40 (13)
N10—Cu4—N9—C9	−0.2 (3)	O3—Ho1—O11—S1	−133.26 (13)
O7—Cu4—N9—O9	−2.9 (2)	O7—Ho1—O11—S1	15.89 (16)
N10—Cu4—N9—O9	−169.8 (3)	O12—Ho1—O11—S1	−4.81 (9)
C9—C10—N10—Cu4	11.2 (3)	O5—Ho1—O11—S1	−70.50 (13)
N9—Cu4—N10—C10	−6.4 (2)	O9—Ho1—O12—S1	−87.07 (11)
O8—Cu4—N10—C10	179.4 (2)	O15—Ho1—O12—S1	171.08 (13)
O7—Cu4—N10—C10	−67.9 (5)	O1—Ho1—O12—S1	−27.31 (15)
C1—N1—O1—Cu1	11.8 (3)	O3—Ho1—O12—S1	60.51 (13)
Cu5—N1—O1—Cu1	−159.11 (16)	O7—Ho1—O12—S1	−158.87 (12)
C1—N1—O1—Ho1	177.0 (2)	O5—Ho1—O12—S1	127.02 (12)
Cu5—N1—O1—Ho1	6.1 (3)	O11—Ho1—O12—S1	4.79 (9)
N3—Cu1—O1—N1	163.75 (19)	Ho1—O11—S1—O14	−110.98 (14)
O2—Cu1—O1—N1	−13.84 (18)	Ho1—O11—S1—O13	124.67 (13)
N3—Cu1—O1—Ho1	−1.28 (15)	Ho1—O11—S1—O12	6.72 (13)
O2—Cu1—O1—Ho1	−178.87 (14)	Ho1—O12—S1—O14	111.86 (13)
O9—Ho1—O1—N1	5.2 (2)	Ho1—O12—S1—O13	−125.56 (12)
O15—Ho1—O1—N1	112.0 (2)	Ho1—O12—S1—O11	−6.73 (13)
O3—Ho1—O1—N1	−166.4 (2)	O9—Ho1—S1—O14	−3.85 (14)
O7—Ho1—O1—N1	45.9 (3)	O1—Ho1—S1—O14	65.44 (14)
O12—Ho1—O1—N1	−59.6 (2)	O3—Ho1—S1—O14	140.53 (14)
O5—Ho1—O1—N1	162.23 (19)	O7—Ho1—S1—O14	−72.56 (14)
O11—Ho1—O1—N1	−87.2 (2)	O12—Ho1—S1—O14	−93.31 (17)
S1—Ho1—O1—N1	−72.9 (2)	O5—Ho1—S1—O14	−147.16 (14)
O9—Ho1—O1—Cu1	167.39 (16)	O11—Ho1—S1—O14	95.07 (18)
O15—Ho1—O1—Cu1	−85.78 (14)	O9—Ho1—S1—O13	174.27 (15)
O3—Ho1—O1—Cu1	−4.19 (13)	O1—Ho1—S1—O13	−116.45 (14)
O7—Ho1—O1—Cu1	−151.94 (12)	O3—Ho1—S1—O13	−41.35 (15)
O12—Ho1—O1—Cu1	102.59 (14)	O7—Ho1—S1—O13	105.56 (15)
O5—Ho1—O1—Cu1	−35.6 (2)	O12—Ho1—S1—O13	84.80 (18)
O11—Ho1—O1—Cu1	75.03 (14)	O5—Ho1—S1—O13	30.96 (15)
S1—Ho1—O1—Cu1	89.30 (13)	O11—Ho1—S1—O13	−86.81 (18)
N1—C1—O2—Cu1	−11.4 (4)	O9—Ho1—S1—O11	−98.92 (13)
C2—C1—O2—Cu1	169.6 (3)	O1—Ho1—S1—O11	−29.63 (13)
O1—Cu1—O2—C1	13.6 (2)	O3—Ho1—S1—O11	45.46 (13)
N4—Cu1—O2—C1	−163.1 (2)	O7—Ho1—S1—O11	−167.63 (13)
C3—N3—O3—Cu2	−4.9 (3)	O12—Ho1—S1—O11	171.62 (16)
Cu1—N3—O3—Cu2	158.05 (16)	O5—Ho1—S1—O11	117.77 (13)
C3—N3—O3—Ho1	179.0 (2)	O9—Ho1—S1—O12	89.46 (12)
Cu1—N3—O3—Ho1	−18.1 (3)	O1—Ho1—S1—O12	158.75 (12)
N5—Cu2—O3—N3	−168.4 (2)	O3—Ho1—S1—O12	−126.16 (12)
O4—Cu2—O3—N3	6.98 (19)	O7—Ho1—S1—O12	20.76 (12)
O19—Cu2—O3—N3	100.4 (3)	O5—Ho1—S1—O12	−53.84 (12)
N5—Cu2—O3—Ho1	7.29 (16)	O11—Ho1—S1—O12	−171.62 (16)
O4—Cu2—O3—Ho1	−177.29 (16)	O27^i—O26—S2—O28^i	−123.5 (4)
O19—Cu2—O3—Ho1	−83.9 (2)	O25^i—O26—S2—O28^i	121.1 (4)
O9—Ho1—O3—N3	−2.2 (3)	O28^i—O26—S2—O28	180.0
O15—Ho1—O3—N3	90.2 (2)	O27^i—O26—S2—O28	56.5 (4)
O1—Ho1—O3—N3	11.7 (2)	O25^i—O26—S2—O28	−58.9 (4)
O7—Ho1—O3—N3	151.00 (19)	O28^i—O26—S2—O27^i	123.5 (4)
O12—Ho1—O3—N3	−115.2 (2)	O25^i—O26—S2—O27^i	−115.3 (4)
O5—Ho1—O3—N3	170.9 (2)	O28^i—O26—S2—O27	−56.5 (4)
O11—Ho1—O3—N3	−68.9 (2)	O27^i—O26—S2—O27	180.000 (3)
S1—Ho1—O3—N3	−89.8 (2)	O25^i—O26—S2—O27	64.7 (4)
O9—Ho1—O3—Cu2	−177.45 (12)	O28^i—O26—S2—O25	58.9 (4)
O15—Ho1—O3—Cu2	−85.03 (16)	O27^i—O26—S2—O25	−64.7 (4)
O1—Ho1—O3—Cu2	−163.56 (18)	O25^i—O26—S2—O25	180.000 (2)
O7—Ho1—O3—Cu2	−24.2 (2)	O28^i—O26—S2—O25^i	−121.1 (4)
O12—Ho1—O3—Cu2	69.62 (17)	O27^i—O26—S2—O25^i	115.3 (4)
O5—Ho1—O3—Cu2	−4.30 (14)	O27^i—O28—S2—O26^i	124.9 (3)
O11—Ho1—O3—Cu2	115.88 (17)	O25^i—O28—S2—O26^i	−123.1 (3)
S1—Ho1—O3—Cu2	94.97 (15)	O26^i—O28—S2—O26	180.0
N3—C3—O4—Cu2	7.7 (4)	O27^i—O28—S2—O26	−55.1 (3)
C4—C3—O4—Cu2	−171.5 (3)	O25^i—O28—S2—O26	56.9 (3)
O3—Cu2—O4—C3	−7.8 (2)	O26^i—O28—S2—O27^i	−124.9 (3)
N6—Cu2—O4—C3	165.7 (2)	O25^i—O28—S2—O27^i	112.0 (3)
O19—Cu2—O4—C3	−104.9 (3)	O26^i—O28—S2—O27	55.1 (3)
C5—N5—O5—Cu3	−9.9 (3)	O27^i—O28—S2—O27	179.999 (2)
Cu2—N5—O5—Cu3	164.04 (15)	O25^i—O28—S2—O27	−68.0 (3)
C5—N5—O5—Ho1	−165.9 (2)	O26^i—O28—S2—O25	−56.9 (3)
Cu2—N5—O5—Ho1	8.0 (3)	O27^i—O28—S2—O25	68.0 (3)
N7—Cu3—O5—N5	−173.29 (18)	O25^i—O28—S2—O25	180.002 (1)
O6—Cu3—O5—N5	11.17 (18)	O26^i—O28—S2—O25^i	123.1 (3)
N8—Cu3—O5—N5	133.7 (5)	O27^i—O28—S2—O25^i	−112.0 (3)
N7—Cu3—O5—Ho1	−17.28 (14)	O28^i—O27—S2—O26^i	−126.9 (3)
O6—Cu3—O5—Ho1	167.18 (14)	O26^i—O27—S2—O26	180.000 (3)
N8—Cu3—O5—Ho1	−70.3 (6)	O28^i—O27—S2—O26	53.1 (3)
O9—Ho1—O5—N5	171.31 (18)	O26^i—O27—S2—O28^i	126.9 (3)
O15—Ho1—O5—N5	79.6 (2)	O26^i—O27—S2—O28	−53.1 (3)
O1—Ho1—O5—N5	29.9 (3)	O28^i—O27—S2—O28	180.000 (2)
O3—Ho1—O5—N5	−2.0 (2)	O26^i—O27—S2—O25	60.7 (3)
O7—Ho1—O5—N5	165.4 (2)	O28^i—O27—S2—O25	−66.2 (3)
O12—Ho1—O5—N5	−119.0 (2)	O26^i—O27—S2—O25^i	−119.3 (3)
O11—Ho1—O5—N5	−67.7 (2)	O28^i—O27—S2—O25^i	113.8 (3)
S1—Ho1—O5—N5	−95.6 (2)	O28^i—O25—S2—O26^i	125.5 (3)
O9—Ho1—O5—Cu3	19.3 (2)	O26^i—O25—S2—O26	180.000 (2)
O15—Ho1—O5—Cu3	−72.39 (13)	O28^i—O25—S2—O26	−54.5 (3)
O1—Ho1—O5—Cu3	−122.13 (13)	O26^i—O25—S2—O28^i	−125.5 (3)
O3—Ho1—O5—Cu3	−154.00 (15)	O26^i—O25—S2—O28	54.5 (3)
O7—Ho1—O5—Cu3	13.40 (12)	O28^i—O25—S2—O28	180.0
O12—Ho1—O5—Cu3	89.03 (13)	O26^i—O25—S2—O27^i	119.6 (3)
O11—Ho1—O5—Cu3	140.28 (12)	O28^i—O25—S2—O27^i	−114.9 (3)
S1—Ho1—O5—Cu3	112.43 (11)	O26^i—O25—S2—O27	−60.4 (3)
N5—C5—O6—Cu3	8.6 (4)	O28^i—O25—S2—O27	65.1 (3)

Symmetry code: (i) −x, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N2—H2A···O15^ii	0.92	2.06	2.940 (4)	160
N2—H2B···O27	0.92	2.52	3.397 (6)	159
N2—H2B···O28^i	0.92	2.04	2.839 (6)	145
N4—H4B···O2^iii	0.92	2.34	3.195 (4)	155
N4—H4A···O25^iii	0.92	1.98	2.768 (6)	143
N4—H4A···O27^iv	0.92	2.14	2.999 (6)	155
N6—H6A···O13^iv	0.92	2.24	3.162 (4)	174
N6—H6B···O24^v	0.92	2.21	2.964 (4)	139
N8—H8B···O12^v	0.92	2.03	2.935 (3)	168
N8—H8A···O23	0.92	2.18	3.026 (4)	152
N10—H10A···O20^vi	0.92	2.24	2.980 (4)	137
N10—H10B···O22^vii	0.92	2.10	2.904 (4)	145
O15—H15B···O16	0.83 (2)	1.86 (2)	2.692 (3)	174 (4)
O15—H15A···O21	0.84 (2)	1.84 (2)	2.664 (4)	164 (5)
O16—H16A···O17^iv	0.83 (2)	1.94 (2)	2.768 (3)	176 (5)
O16—H16B···O22	0.83 (2)	1.90 (2)	2.716 (4)	171 (5)
O17—H17B···O6^v	0.83 (2)	1.90 (2)	2.724 (3)	177 (5)
O17—H17A···O12	0.82 (2)	2.10 (2)	2.886 (3)	160 (4)
O18—H18B···O14	0.83 (2)	1.90 (2)	2.722 (3)	174 (5)
O18—H18A···O26^i	0.84 (2)	2.01 (2)	2.844 (6)	172 (5)
O18—H18A···O27	0.84 (2)	1.97 (4)	2.640 (6)	136 (4)
O19—H19A···O24^viii	0.84 (2)	1.76 (6)	2.559 (8)	157 (14)
O19—H19B···O24^v	0.84 (2)	2.16 (10)	2.875 (7)	142 (15)
O20—H20B···O11	0.83 (2)	2.13 (2)	2.942 (3)	167 (5)
O20—H20A···O25	0.83 (2)	1.89 (2)	2.714 (6)	169 (5)
O20—H20A···O26^i	0.83 (2)	2.19 (3)	2.896 (5)	143 (4)
O21—H21B···O10^ii	0.83 (2)	1.90 (2)	2.721 (3)	172 (5)
O21—H21A···O18^iv	0.83 (2)	1.93 (2)	2.750 (3)	168 (5)
O22—H22B···O23	0.84 (2)	1.88 (2)	2.697 (4)	165 (5)
O22—H22A···O26^ii	0.84 (2)	2.15 (3)	2.961 (6)	163 (5)
O22—H22A···O28^ix	0.84 (2)	1.95 (3)	2.725 (6)	153 (5)
O23—H23A···O4^vi	0.83 (2)	1.91 (2)	2.731 (3)	168 (5)
O23—H23B···O13^ix	0.84 (2)	2.02 (2)	2.849 (4)	173 (5)
O24—H24B···O8	0.84 (2)	2.00 (3)	2.803 (4)	158 (6)
O24—H24A···O11^vi	0.84 (2)	2.18 (2)	3.003 (4)	167 (6)

Symmetry codes: (i) −x, −y, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1, −y, −z+1; (iv) x+1, y, z; (v) −x+1, −y+1, −z; (vi) x, y+1, z; (vii) x−1, y, z; (viii) x, y−1, z; (ix) x+1, y+1, z.