Tetra­kis(μ-anthracene-9-carboxyl­ato)-κ⁴O:O′;κ³O,O′:O′;κ³O:O,O′-bis[(anthracene-9-carboxyl­ato-κ²O,O′)(1,10-phenanthroline-κ²N,N′)erbium(III)]: effects of a noncoordinating anthracene ligand ring system on the final structure of a coordination complex

The title complex, [Er₂(C₁₅H₉O₂)₆(C₁₂H₈N₂)₂], has a centrosymmetric binuclear cage structure in which the two Er^III atoms are both nine-coordinated and are bridged by four bulky anthracene-9-carboxyl­ate (L) ligands, with a non­bonding Er...Er separation of 3.9041 (2) Å. The L groups coordinate each Er^III atom in three different ways. The results reported here reveal that the bulky anthracene skeleton of the L ligand plays an important role in the formation of the complex by virtue of intra- and inter­molecular π–π stacking and C—H...π inter­actions.

S1. Comment

The rational design and synthesis of functional rare-earth (RE) coordination complexes has attracted great interest because of their fascinating structural diversities and potential uses as functional materials (Bünzli, 2006; Cheng et al., 2006; Fu et al., 2005; Suárez et al., 2004). The most effective and facile approach for the synthesis of such complexes is still the appropriate choice of well designed organic ligands as bridges or terminal groups (building blocks) with metal ions or metal clusters as nodes (Ye et al., 2005). Among various ligands, versatile carboxylic acid ligands exhibiting diverse coordination modes, such as benzoic and naphthalene-1-carboxylic acids (HNCA), have been well used in the preparations of various functional rare-earth complexes (Busskamp et al., 2007; Deacon et al., 2007; Murugesu et al., 2006; Roh et al., 2005; Shi et al., 2001; Wan et al., 2003; Wang et al., 1999, 2006; Yang et al., 2003). In comparison with the aforementioned benzene- and naphthalene-based carboxylic acid ligands, however, far less common has been the use of anthracene-based carboxylic acids, such as the acid used herein, anthracene-9-carboxylic acid (HL).

In our recent research, HNAC and HL have been successfully used to construct a series of novel Ag^I, Cu^II, Co^II, Ni^II, Mn^II, Cd^II and La^III complexes having mononuclear, dinuclear, tetranuclear, hexanuclear and one-dimensional chain structures; these complexes also exhibited interesting magnetic and luminescent properties (Liu, Chang & Wang, 2007; Liu, Chen et al., 2008; Liu et al., 2006; Liu, Wang et al., 2007; Liu, Yan et al., 2008; Zou et al., 2005). To further explore the coordination architectures of the HL ligand bearing the bulky anthracene skeleton in this research, a new Er^III complex with L has been synthesized by taking advantage of the carboxylate bridging coordination abilities of the ligand and the steric bulk of its anthracene ring system, while also incorporating 1,10-phenanthroline (phen) as a chelating co-ligand. We report here the synthesis and the crystal structure of the title complex, (I).

The structure of (I) consists of a centrosymmetric dinuclear [Er₂(L)₆(phen)₂] unit, in which each Er^III ion is nine-coordinated by two N-atom donors from one chelating phen ligand and seven O atoms from five distinct L ligands (Fig. 1). The Er—O distances are in the range 2.2721 (16)–2.6123 (16) Å, which are in the normal range and in agreement with those found in other carboxylate-containing Er^III complexes (Cheng et al., 2006). The phen ligand acts as a typical chelating ligand, coordinating to the Er^III ion with Er—N bond distances of 2.558 (2) and 2.6132 (19) Å and an N1—Er1—N2 angle of 63.63 (7)°. For L, there exist three different forms of carboxylic coordination mode with the Er^III center, namely bidentate syn–syn bridging (µ₂-η¹:η¹-bridging), symmetric bidentate chelating (µ₁-η¹:η¹-chelating) and tridentate chelating/bridging (η-O,O'-µ-O,O) coordination modes, which jointly connect the two Er^III atoms to form an eight-membered ring composed of atoms Er1, O5, C1, O6A, Er1A, O5A, C1A and O6, as well as a four-membered ring composed of atoms Er1, O3, Er1A and O3A, with a nonbonding Er1···Er1A separation of 3.9041 (2) Å [the suffix A denotes the symmetry operation (-x + 1, -y + 1, -z + 1)]. Intramolecular face-to-face π–π stacking is observed between the anthracene and phenanthroline ring systems in the dinuclear unit, with a centroid–centroid separation of 3.636 (5) Å, an average interplanar separation of 3.486 Å, and a dihedral angle of 4.8° (Janiak, 2000). In addition, adjacent dinuclear [Er₂(L)₆(phen)₂] units are arranged into a one-dimensional chain along the [111] direction by intermolecular π–π stacking interactions (symmetry operation: -x + 2, -y + 2, -z + 2; see Fig. 2) between the completely parallel anthracene rings of distinct L ligands, with a centroid–centroid separation of 3.743 (2) Å.

Moreover, complex (I) contains intra- and intermolecular C—H···π interactions (Table 2) involving the C25–C30 (centroid Cg1) and C10–C15 (centroid Cg2) benzene rings of the L ligands and the C52–C56/N2 (centroid Cg3) pyridine rings of the phen ligands, with an edge-to-face orientation that interlinks the dinuclear subunits into two different one-dimensional chains along the [100] and [110] directions, respectively (Fig. 3). The result is a two-dimensional network running parallel to the (001) plane (Sony & Ponnuswamy, 2006). As we have found previously (Liu, Chang & Wang, 2007 and/or Liu, Wang et al., 2007)??, such bulky anthracene-based carboxylate ligands have a large conjugated π system and thus π–π stacking and/or C–H···π interactions play an important role in the formation of the supramolecular framework. Isolation of complex (I), therefore, is a new proof of the coordination versatility of simple monocarboxylic acid ligands bearing a bulky anthracene ring skeleton.

Related literature

For related literature, see: Bünzli (2006); Bußkamp, Deacon, Hilder, Junk, Kynast, Lee & Turner (2007); Cheng et al. (2006); Deacon et al. (2007); Fu et al. (2005); Janiak (2000); Liu et al. (2006); Liu, Chang & Wang (2007); Liu, Chen, Chang, Wang, Yan, Sun, Bu, Lin, Li & Batten (2008); Liu, Wang, Yan, Chang, Bu, Sañudo & Ribas (2007); Liu, Yan, Chang & Wang (2008); Murugesu et al. (2006); Roh et al. (2005); Shi et al. (2001); Sony, Ponnuswamy, Cryst & Growth Des (2006); Suárez et al. (2004); Wan et al. (2003); Wang et al. (1999, 2006); Yang et al. (2003); Ye et al. (2005); Zou et al. (2005).

S2. Experimental

A mixed solution of HL (0.05 mmol) and phen (0.05 mmol) in CH₃OH (10 ml) in the presence of excess 2,6-dimethylpyridine (ca 0.05 ml for adjusting the pH value to basic conditions) was carefully layered on top of an aqueous solution (15 ml) of Er(NO₃)₃ (0.1 mmol) in a test tube. Yellow single crystals of (I) suitable for X-ray analysis appeared on the tube wall after ca two weeks at room temperature (yield ~30% based on HL). Elemental analysis calculated for C₁₁₄H₇₀Er₂N₄O₁₂: C 67.71, H 3.49, N 2.77%; found: C 67.85, H 3.57, N 2.69%.

S3. Refinement

H atoms were included in calculated positions and treated in the subsequent refinement as riding atoms, with C—H = 0.93 Å (aromatic) and with U_iso(H) = 1.2U_eq(C).

Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2003).

Figures

	Fig. 1. The molecular structure of the title complex. Displacement ellipsoids are drawn at the 30% probability level. Atoms labelled with the suffix A are generated by the symmetry operation (-x + 1, -y + 1, -z + 1). For the sake of clarity, all H atoms have been omitted.
	Fig. 2. Part of the crystal packing of (I), rendered in stereo style, showing a π–π stacking chain along the [111] direction. All H atoms have been omitted for clarity.
	Fig. 3. Views of the intra- and intermolecular C–H···π interactions in (I), showing two different hydrogen-bonded chains: (a) along the [100] direction (interactions are shown as dashed open lines) and (b) along the [110] direction (interactions are shown as dashed solid lines). The Er^IIIatoms labelled with the suffixes A, B, C, D and E are generated by the symmetry operations (-x + 1, -y + 1, -z + 1), (x - 1, y, z), (-x, -y + 1, -z + 1), (x - 1, y - 1, z) and (-x, -y, -z +1), respectively. Only H atoms involved in the interactions are shown for clarity.

Tetrakis(µ-anthracene-9-carboxylato)- κ⁴O:O';κ³O,O':O';κ³O:O,O'- bis[(anthracene-9-carboxylato-κ²O,O')(1,10-phenanthroline- κ²N,N')erbium(III)]

Crystal data

[Er2(C15H9O2)6(C12H8N2)2]	Z = 1
Mr = 2022.26	F(000) = 1014
Triclinic, P1	Dx = 1.614 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 12.4951 (2) Å	Cell parameters from 5264 reflections
b = 13.3839 (2) Å	θ = 2.4–28.1°
c = 14.9579 (2) Å	µ = 2.08 mm^−1
α = 110.9348 (8)°	T = 273 K
β = 103.1758 (8)°	Block, yellow
γ = 106.6669 (8)°	0.20 × 0.14 × 0.12 mm
V = 2079.97 (6) Å^3

Data collection

Bruker SMART CCD area-detector diffractometer	7308 independent reflections
Radiation source: fine-focus sealed tube	6534 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
ϕ and ω scans	θmax = 25.0°, θmin = 1.8°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −14→14
Tmin = 0.681, Tmax = 0.789	k = −14→15
24533 measured reflections	l = −17→17

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)] = 0.020	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.049	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0283P)^2] where P = (Fo^2 + 2Fc^2)/3
7308 reflections	(Δ/σ)max = 0.004
595 parameters	Δρmax = 0.96 e Å^−3
0 restraints	Δρmin = −0.43 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
Er1	0.668545 (9)	0.573952 (9)	0.591514 (8)	0.02544 (4)
C1	0.5700 (2)	0.5287 (2)	0.34748 (19)	0.0307 (6)
C2	0.6139 (2)	0.5567 (2)	0.26913 (19)	0.0330 (6)
C3	0.5708 (2)	0.4695 (2)	0.1662 (2)	0.0371 (6)
C4	0.4803 (3)	0.3540 (2)	0.1257 (2)	0.0439 (7)
H4	0.4444	0.3340	0.1684	0.053*
C5	0.4454 (3)	0.2732 (3)	0.0272 (2)	0.0507 (7)
H5	0.3867	0.1990	0.0041	0.061*
C6	0.4957 (3)	0.2989 (3)	−0.0412 (2)	0.0537 (8)
H6	0.4708	0.2421	−0.1087	0.064*
C7	0.5799 (3)	0.4060 (3)	−0.0081 (2)	0.0542 (8)
H7	0.6125	0.4227	−0.0538	0.065*
C8	0.6212 (2)	0.4954 (3)	0.0952 (2)	0.0425 (7)
C9	0.7047 (3)	0.6068 (3)	0.1277 (2)	0.0497 (7)
H9	0.7356	0.6232	0.0811	0.060*
C10	0.7446 (2)	0.6956 (3)	0.2275 (2)	0.0436 (7)
C11	0.8267 (3)	0.8110 (3)	0.2562 (3)	0.0544 (8)
H11	0.8518	0.8275	0.2072	0.065*
C12	0.8684 (3)	0.8965 (3)	0.3533 (3)	0.0607 (9)
H12	0.9220	0.9713	0.3712	0.073*
C13	0.8301 (3)	0.8719 (3)	0.4278 (3)	0.0529 (8)
H13	0.8600	0.9310	0.4949	0.064*
C14	0.7510 (2)	0.7643 (2)	0.4039 (2)	0.0444 (7)
H14	0.7279	0.7513	0.4550	0.053*
C15	0.7018 (2)	0.6695 (2)	0.3011 (2)	0.0375 (6)
C16	0.8730 (2)	0.7611 (2)	0.74212 (19)	0.0302 (5)
C17	0.9849 (2)	0.8616 (2)	0.82691 (18)	0.0312 (5)
C18	1.0731 (2)	0.8379 (2)	0.8816 (2)	0.0349 (6)
C19	1.0693 (2)	0.7226 (2)	0.8531 (2)	0.0443 (7)
H19	1.0064	0.6597	0.7952	0.053*
C20	1.1560 (3)	0.7035 (3)	0.9091 (3)	0.0568 (8)
H20	1.1522	0.6278	0.8886	0.068*
C21	1.2518 (3)	0.7965 (3)	0.9979 (3)	0.0587 (9)
H21	1.3109	0.7820	1.0352	0.070*
C22	1.2581 (2)	0.9067 (3)	1.0288 (2)	0.0493 (7)
H22	1.3208	0.9670	1.0883	0.059*
C23	1.1712 (2)	0.9327 (2)	0.9726 (2)	0.0357 (6)
C24	1.1764 (2)	1.0450 (2)	1.0032 (2)	0.0369 (6)
H24	1.2377	1.1055	1.0636	0.044*
C25	1.0921 (2)	1.0703 (2)	0.94612 (19)	0.0334 (6)
C26	1.0973 (3)	1.1855 (2)	0.9768 (2)	0.0419 (7)
H26	1.1596	1.2469	1.0360	0.050*
C27	1.0135 (3)	1.2077 (2)	0.9215 (2)	0.0468 (7)
H27	1.0180	1.2836	0.9436	0.056*
C28	0.9188 (3)	1.1158 (2)	0.8301 (2)	0.0462 (7)
H28	0.8633	1.1325	0.7914	0.055*
C29	0.9083 (2)	1.0036 (2)	0.7984 (2)	0.0401 (6)
H29	0.8444	0.9440	0.7393	0.048*
C30	0.9943 (2)	0.9765 (2)	0.85501 (19)	0.0319 (6)
C31	0.5339 (2)	0.7168 (2)	0.56561 (19)	0.0312 (6)
C32	0.4644 (2)	0.7922 (2)	0.56337 (19)	0.0309 (6)
C33	0.4342 (2)	0.8145 (2)	0.4785 (2)	0.0341 (6)
C34	0.4671 (2)	0.7708 (2)	0.3924 (2)	0.0408 (6)
H34	0.5089	0.7232	0.3904	0.049*
C35	0.4391 (3)	0.7967 (3)	0.3132 (2)	0.0509 (7)
H35	0.4622	0.7672	0.2579	0.061*
C36	0.3751 (3)	0.8682 (3)	0.3133 (3)	0.0561 (8)
H36	0.3567	0.8858	0.2585	0.067*
C37	0.3405 (2)	0.9111 (2)	0.3929 (2)	0.0490 (8)
H37	0.2983	0.9580	0.3921	0.059*
C38	0.3675 (2)	0.8858 (2)	0.4780 (2)	0.0405 (7)
C39	0.3343 (2)	0.9298 (2)	0.5612 (2)	0.0466 (7)
H39	0.2908	0.9757	0.5605	0.056*
C40	0.3635 (2)	0.9081 (2)	0.6454 (2)	0.0409 (7)
C41	0.3296 (3)	0.9536 (3)	0.7316 (3)	0.0580 (9)
H41	0.2866	0.9999	0.7319	0.070*
C42	0.3585 (3)	0.9308 (3)	0.8117 (3)	0.0643 (9)
H42	0.3357	0.9619	0.8669	0.077*
C43	0.4229 (3)	0.8605 (3)	0.8138 (3)	0.0572 (8)
H43	0.4411	0.8444	0.8696	0.069*
C44	0.4585 (3)	0.8159 (2)	0.7343 (2)	0.0457 (7)
H44	0.5018	0.7703	0.7371	0.055*
C45	0.4311 (2)	0.8375 (2)	0.6473 (2)	0.0352 (6)
C46	0.8006 (3)	0.4361 (3)	0.4284 (2)	0.0461 (7)
H46	0.7648	0.4667	0.3895	0.055*
C47	0.8651 (3)	0.3725 (3)	0.3883 (3)	0.0564 (8)
H47	0.8695	0.3599	0.3242	0.068*
C48	0.9206 (3)	0.3303 (3)	0.4456 (3)	0.0577 (9)
H48	0.9649	0.2891	0.4213	0.069*
C49	0.9117 (2)	0.3484 (2)	0.5403 (3)	0.0476 (7)
C50	0.9693 (3)	0.3084 (3)	0.6070 (3)	0.0661 (10)
H50	1.0141	0.2665	0.5854	0.079*
C51	0.9608 (3)	0.3291 (3)	0.6981 (3)	0.0658 (10)
H51	1.0009	0.3031	0.7393	0.079*
C52	0.8909 (2)	0.3908 (2)	0.7340 (3)	0.0474 (7)
C53	0.8799 (3)	0.4154 (3)	0.8291 (3)	0.0554 (8)
H53	0.9186	0.3908	0.8725	0.066*
C54	0.8129 (3)	0.4749 (3)	0.8588 (2)	0.0486 (7)
H54	0.8058	0.4922	0.9226	0.058*
C55	0.7547 (2)	0.5100 (2)	0.7918 (2)	0.0397 (6)
H55	0.7084	0.5504	0.8126	0.048*
C56	0.8309 (2)	0.4304 (2)	0.6710 (2)	0.0353 (6)
C57	0.8427 (2)	0.4107 (2)	0.5733 (2)	0.0362 (6)
N1	0.78757 (17)	0.45512 (18)	0.51703 (16)	0.0347 (5)
N2	0.76185 (17)	0.48867 (17)	0.70041 (16)	0.0323 (5)
O1	0.78215 (15)	0.72637 (15)	0.76466 (13)	0.0367 (4)
O2	0.86984 (15)	0.71052 (15)	0.65199 (13)	0.0393 (4)
O3	0.47689 (15)	0.60681 (13)	0.52103 (13)	0.0336 (4)
O4	0.64480 (16)	0.76076 (16)	0.61145 (15)	0.0500 (5)
O5	0.64959 (14)	0.56867 (14)	0.43495 (13)	0.0333 (4)
O6	0.54015 (14)	0.53154 (15)	0.67816 (12)	0.0346 (4)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Er1	0.02181 (6)	0.02718 (7)	0.02366 (7)	0.00983 (5)	0.00740 (5)	0.00840 (5)
C1	0.0346 (15)	0.0324 (14)	0.0298 (15)	0.0180 (12)	0.0149 (12)	0.0136 (12)
C2	0.0291 (13)	0.0425 (15)	0.0334 (15)	0.0181 (12)	0.0127 (12)	0.0200 (13)
C3	0.0378 (15)	0.0514 (17)	0.0340 (15)	0.0251 (14)	0.0174 (13)	0.0235 (14)
C4	0.0494 (17)	0.0481 (17)	0.0372 (17)	0.0184 (15)	0.0205 (14)	0.0208 (15)
C5	0.0536 (19)	0.0495 (18)	0.0413 (18)	0.0180 (15)	0.0174 (15)	0.0151 (15)
C6	0.054 (2)	0.070 (2)	0.0352 (17)	0.0296 (18)	0.0183 (15)	0.0170 (16)
C7	0.057 (2)	0.081 (2)	0.0382 (18)	0.0343 (19)	0.0265 (16)	0.0315 (18)
C8	0.0404 (16)	0.0603 (19)	0.0417 (17)	0.0279 (15)	0.0209 (14)	0.0290 (15)
C9	0.0493 (18)	0.068 (2)	0.0507 (19)	0.0261 (16)	0.0277 (15)	0.0389 (17)
C10	0.0360 (15)	0.0542 (18)	0.058 (2)	0.0227 (14)	0.0224 (15)	0.0371 (17)
C11	0.0484 (19)	0.061 (2)	0.071 (2)	0.0248 (17)	0.0281 (18)	0.042 (2)
C12	0.0451 (19)	0.052 (2)	0.095 (3)	0.0183 (16)	0.027 (2)	0.045 (2)
C13	0.0409 (17)	0.0442 (18)	0.067 (2)	0.0183 (15)	0.0132 (16)	0.0212 (17)
C14	0.0359 (15)	0.0479 (17)	0.0524 (19)	0.0185 (14)	0.0177 (14)	0.0237 (15)
C15	0.0321 (14)	0.0476 (16)	0.0442 (17)	0.0228 (13)	0.0160 (13)	0.0261 (14)
C16	0.0266 (13)	0.0297 (13)	0.0313 (15)	0.0131 (11)	0.0069 (11)	0.0117 (12)
C17	0.0267 (13)	0.0325 (14)	0.0251 (13)	0.0070 (11)	0.0085 (11)	0.0079 (11)
C18	0.0283 (13)	0.0399 (15)	0.0336 (15)	0.0129 (12)	0.0123 (12)	0.0138 (13)
C19	0.0383 (16)	0.0429 (16)	0.0415 (17)	0.0183 (14)	0.0086 (13)	0.0110 (14)
C20	0.055 (2)	0.0525 (19)	0.063 (2)	0.0327 (17)	0.0166 (17)	0.0215 (17)
C21	0.0438 (18)	0.072 (2)	0.057 (2)	0.0337 (17)	0.0061 (16)	0.0257 (19)
C22	0.0313 (15)	0.060 (2)	0.0424 (18)	0.0137 (14)	0.0037 (13)	0.0178 (16)
C23	0.0252 (13)	0.0441 (16)	0.0306 (15)	0.0083 (12)	0.0094 (11)	0.0144 (13)
C24	0.0270 (14)	0.0386 (15)	0.0255 (14)	0.0001 (12)	0.0036 (11)	0.0080 (12)
C25	0.0323 (14)	0.0302 (14)	0.0280 (14)	0.0032 (11)	0.0112 (12)	0.0104 (12)
C26	0.0438 (16)	0.0338 (15)	0.0322 (15)	0.0042 (13)	0.0089 (13)	0.0107 (13)
C27	0.0586 (19)	0.0341 (15)	0.0451 (18)	0.0155 (14)	0.0177 (15)	0.0186 (14)
C28	0.0455 (17)	0.0463 (17)	0.0465 (18)	0.0167 (14)	0.0119 (14)	0.0252 (15)
C29	0.0357 (15)	0.0410 (16)	0.0332 (15)	0.0090 (13)	0.0066 (12)	0.0149 (13)
C30	0.0303 (13)	0.0329 (14)	0.0267 (14)	0.0073 (11)	0.0097 (11)	0.0122 (12)
C31	0.0343 (14)	0.0312 (14)	0.0263 (14)	0.0155 (12)	0.0107 (12)	0.0099 (12)
C32	0.0241 (13)	0.0235 (13)	0.0364 (15)	0.0083 (11)	0.0067 (11)	0.0085 (11)
C33	0.0278 (13)	0.0244 (13)	0.0393 (16)	0.0075 (11)	0.0042 (12)	0.0106 (12)
C34	0.0376 (15)	0.0359 (15)	0.0416 (17)	0.0126 (13)	0.0113 (13)	0.0137 (13)
C35	0.0512 (18)	0.0523 (18)	0.0415 (18)	0.0136 (16)	0.0138 (15)	0.0211 (15)
C36	0.0498 (19)	0.057 (2)	0.053 (2)	0.0103 (16)	0.0030 (16)	0.0350 (18)
C37	0.0418 (17)	0.0433 (17)	0.055 (2)	0.0159 (14)	0.0040 (15)	0.0253 (16)
C38	0.0321 (14)	0.0295 (14)	0.0498 (18)	0.0095 (12)	0.0050 (13)	0.0160 (13)
C39	0.0394 (16)	0.0346 (15)	0.063 (2)	0.0216 (13)	0.0123 (15)	0.0182 (15)
C40	0.0345 (15)	0.0308 (14)	0.0498 (18)	0.0142 (12)	0.0143 (13)	0.0105 (13)
C41	0.060 (2)	0.0537 (19)	0.068 (2)	0.0349 (17)	0.0323 (18)	0.0196 (18)
C42	0.070 (2)	0.068 (2)	0.055 (2)	0.033 (2)	0.0368 (19)	0.0164 (19)
C43	0.062 (2)	0.061 (2)	0.047 (2)	0.0245 (18)	0.0245 (17)	0.0207 (17)
C44	0.0453 (17)	0.0427 (16)	0.0451 (18)	0.0181 (14)	0.0133 (14)	0.0178 (14)
C45	0.0272 (13)	0.0270 (13)	0.0420 (16)	0.0086 (11)	0.0089 (12)	0.0100 (12)
C46	0.0400 (16)	0.0549 (18)	0.0445 (18)	0.0223 (14)	0.0223 (14)	0.0172 (15)
C47	0.0506 (19)	0.056 (2)	0.053 (2)	0.0188 (16)	0.0314 (17)	0.0101 (17)
C48	0.0404 (17)	0.0443 (18)	0.084 (3)	0.0222 (15)	0.0336 (18)	0.0143 (18)
C49	0.0362 (16)	0.0363 (16)	0.066 (2)	0.0177 (13)	0.0231 (15)	0.0138 (15)
C50	0.050 (2)	0.061 (2)	0.102 (3)	0.0430 (18)	0.031 (2)	0.036 (2)
C51	0.056 (2)	0.068 (2)	0.092 (3)	0.0419 (19)	0.023 (2)	0.045 (2)
C52	0.0352 (16)	0.0362 (16)	0.064 (2)	0.0139 (13)	0.0083 (15)	0.0228 (15)
C53	0.0498 (19)	0.059 (2)	0.060 (2)	0.0222 (16)	0.0056 (16)	0.0387 (18)
C54	0.0491 (18)	0.0525 (18)	0.0409 (17)	0.0165 (15)	0.0108 (14)	0.0245 (15)
C55	0.0369 (15)	0.0391 (15)	0.0367 (16)	0.0137 (13)	0.0074 (13)	0.0157 (13)
C56	0.0265 (13)	0.0282 (13)	0.0440 (16)	0.0098 (11)	0.0066 (12)	0.0139 (12)
C57	0.0240 (13)	0.0264 (13)	0.0477 (17)	0.0095 (11)	0.0093 (12)	0.0089 (13)
N1	0.0261 (11)	0.0351 (12)	0.0362 (13)	0.0126 (10)	0.0119 (10)	0.0087 (10)
N2	0.0274 (11)	0.0307 (11)	0.0335 (13)	0.0113 (9)	0.0082 (10)	0.0114 (10)
O1	0.0327 (10)	0.0351 (10)	0.0289 (10)	0.0051 (8)	0.0109 (8)	0.0077 (8)
O2	0.0276 (9)	0.0441 (11)	0.0298 (10)	0.0084 (8)	0.0116 (8)	0.0042 (9)
O3	0.0355 (10)	0.0217 (9)	0.0401 (11)	0.0107 (8)	0.0178 (8)	0.0088 (8)
O4	0.0302 (11)	0.0354 (11)	0.0567 (13)	0.0135 (9)	−0.0043 (9)	0.0043 (10)
O5	0.0293 (9)	0.0394 (10)	0.0281 (10)	0.0118 (8)	0.0096 (8)	0.0143 (8)
O6	0.0247 (9)	0.0464 (11)	0.0279 (10)	0.0117 (8)	0.0100 (8)	0.0138 (8)

Geometric parameters (Å, º)

Er1—O3^i	2.2721 (16)	C26—H26	0.9300
Er1—O5	2.2727 (16)	C27—C28	1.416 (4)
Er1—O6	2.3510 (16)	C27—H27	0.9300
Er1—O2	2.3727 (17)	C28—C29	1.359 (4)
Er1—O1	2.4024 (17)	C28—H28	0.9300
Er1—O4	2.5222 (18)	C29—C30	1.425 (4)
Er1—N2	2.558 (2)	C29—H29	0.9300
Er1—O3	2.6123 (16)	C31—O4	1.243 (3)
Er1—N1	2.6132 (19)	C31—O3	1.265 (3)
Er1—C16	2.747 (2)	C31—C32	1.513 (3)
Er1—C31	2.951 (2)	C32—C45	1.398 (3)
Er1—Er1^i	3.9041 (2)	C32—C33	1.400 (4)
C1—O5	1.260 (3)	C33—C34	1.418 (4)
C1—O6^i	1.262 (3)	C33—C38	1.436 (3)
C1—C2	1.518 (3)	C34—C35	1.349 (4)
C2—C3	1.414 (4)	C34—H34	0.9300
C2—C15	1.416 (4)	C35—C36	1.412 (4)
C3—C4	1.432 (4)	C35—H35	0.9300
C3—C8	1.445 (4)	C36—C37	1.349 (4)
C4—C5	1.352 (4)	C36—H36	0.9300
C4—H4	0.9300	C37—C38	1.425 (4)
C5—C6	1.407 (4)	C37—H37	0.9300
C5—H5	0.9300	C38—C39	1.385 (4)
C6—C7	1.341 (4)	C39—C40	1.384 (4)
C6—H6	0.9300	C39—H39	0.9300
C7—C8	1.431 (4)	C40—C41	1.431 (4)
C7—H7	0.9300	C40—C45	1.441 (3)
C8—C9	1.381 (4)	C41—C42	1.338 (5)
C9—C10	1.394 (4)	C41—H41	0.9300
C9—H9	0.9300	C42—C43	1.405 (5)
C10—C11	1.429 (4)	C42—H42	0.9300
C10—C15	1.435 (4)	C43—C44	1.362 (4)
C11—C12	1.347 (5)	C43—H43	0.9300
C11—H11	0.9300	C44—C45	1.420 (4)
C12—C13	1.412 (5)	C44—H44	0.9300
C12—H12	0.9300	C46—N1	1.315 (3)
C13—C14	1.353 (4)	C46—C47	1.407 (4)
C13—H13	0.9300	C46—H46	0.9300
C14—C15	1.442 (4)	C47—C48	1.354 (5)
C14—H14	0.9300	C47—H47	0.9300
C16—O2	1.259 (3)	C48—C49	1.386 (4)
C16—O1	1.266 (3)	C48—H48	0.9300
C16—C17	1.506 (3)	C49—C57	1.413 (3)
C17—C18	1.400 (3)	C49—C50	1.440 (5)
C17—C30	1.402 (3)	C50—C51	1.326 (5)
C18—C19	1.430 (4)	C50—H50	0.9300
C18—C23	1.441 (4)	C51—C52	1.429 (4)
C19—C20	1.357 (4)	C51—H51	0.9300
C19—H19	0.9300	C52—C53	1.389 (4)
C20—C21	1.409 (4)	C52—C56	1.412 (4)
C20—H20	0.9300	C53—C54	1.353 (4)
C21—C22	1.351 (4)	C53—H53	0.9300
C21—H21	0.9300	C54—C55	1.397 (4)
C22—C23	1.419 (4)	C54—H54	0.9300
C22—H22	0.9300	C55—N2	1.323 (3)
C23—C24	1.383 (4)	C55—H55	0.9300
C24—C25	1.397 (4)	C56—N2	1.364 (3)
C24—H24	0.9300	C56—C57	1.440 (4)
C25—C26	1.420 (4)	C57—N1	1.366 (3)
C25—C30	1.437 (3)	O3—Er1^i	2.2721 (16)
C26—C27	1.352 (4)	O6—C1^i	1.262 (3)
O3^i—Er1—O5	76.39 (6)	C22—C21—C20	120.1 (3)
O3^i—Er1—O6	74.83 (6)	C22—C21—H21	120.0
O5—Er1—O6	137.12 (6)	C20—C21—H21	120.0
O3^i—Er1—O2	148.50 (6)	C21—C22—C23	121.6 (3)
O5—Er1—O2	87.07 (6)	C21—C22—H22	119.2
O6—Er1—O2	131.90 (6)	C23—C22—H22	119.2
O3^i—Er1—O1	150.34 (6)	C24—C23—C22	122.3 (3)
O5—Er1—O1	132.78 (6)	C24—C23—C18	119.1 (2)
O6—Er1—O1	77.74 (6)	C22—C23—C18	118.5 (3)
O2—Er1—O1	54.65 (6)	C23—C24—C25	122.0 (2)
O3^i—Er1—O4	123.26 (6)	C23—C24—H24	119.0
O5—Er1—O4	76.72 (6)	C25—C24—H24	119.0
O6—Er1—O4	93.44 (6)	C24—C25—C26	122.3 (2)
O2—Er1—O4	77.13 (6)	C24—C25—C30	119.3 (2)
O1—Er1—O4	69.17 (6)	C26—C25—C30	118.4 (2)
O3^i—Er1—N2	90.41 (6)	C27—C26—C25	121.3 (3)
O5—Er1—N2	137.24 (6)	C27—C26—H26	119.3
O6—Er1—N2	73.94 (6)	C25—C26—H26	119.3
O2—Er1—N2	83.73 (6)	C26—C27—C28	120.4 (3)
O1—Er1—N2	71.19 (6)	C26—C27—H27	119.8
O4—Er1—N2	140.11 (6)	C28—C27—H27	119.8
O3^i—Er1—O3	74.08 (6)	C29—C28—C27	120.7 (3)
O5—Er1—O3	70.39 (5)	C29—C28—H28	119.6
O6—Er1—O3	71.56 (5)	C27—C28—H28	119.6
O2—Er1—O3	125.40 (6)	C28—C29—C30	120.6 (3)
O1—Er1—O3	107.57 (5)	C28—C29—H29	119.7
O4—Er1—O3	49.98 (5)	C30—C29—H29	119.7
N2—Er1—O3	144.79 (6)	C17—C30—C29	122.5 (2)
O3^i—Er1—N1	76.23 (6)	C17—C30—C25	118.9 (2)
O5—Er1—N1	73.71 (6)	C29—C30—C25	118.5 (2)
O6—Er1—N1	127.65 (6)	O4—C31—O3	119.9 (2)
O2—Er1—N1	73.44 (6)	O4—C31—C32	121.4 (2)
O1—Er1—N1	113.22 (6)	O3—C31—C32	118.7 (2)
O4—Er1—N1	138.86 (7)	O4—C31—Er1	57.95 (13)
N2—Er1—N1	63.63 (7)	O3—C31—Er1	62.17 (12)
O3—Er1—N1	137.60 (6)	C32—C31—Er1	173.97 (17)
O3^i—Er1—C16	165.70 (6)	C45—C32—C33	121.6 (2)
O5—Er1—C16	110.61 (7)	C45—C32—C31	118.3 (2)
O6—Er1—C16	104.95 (7)	C33—C32—C31	120.1 (2)
O2—Er1—C16	27.23 (6)	C32—C33—C34	123.2 (2)
O1—Er1—C16	27.42 (6)	C32—C33—C38	119.0 (2)
O4—Er1—C16	70.99 (6)	C34—C33—C38	117.8 (2)
N2—Er1—C16	75.99 (7)	C35—C34—C33	121.5 (3)
O3—Er1—C16	119.74 (6)	C35—C34—H34	119.3
N1—Er1—C16	93.47 (7)	C33—C34—H34	119.3
O3^i—Er1—C31	99.25 (7)	C34—C35—C36	120.8 (3)
O5—Er1—C31	73.21 (6)	C34—C35—H35	119.6
O6—Er1—C31	80.81 (6)	C36—C35—H35	119.6
O2—Er1—C31	101.37 (7)	C37—C36—C35	120.1 (3)
O1—Er1—C31	87.20 (6)	C37—C36—H36	119.9
O4—Er1—C31	24.70 (6)	C35—C36—H36	119.9
N2—Er1—C31	149.55 (7)	C36—C37—C38	121.2 (3)
O3—Er1—C31	25.35 (6)	C36—C37—H37	119.4
N1—Er1—C31	146.73 (7)	C38—C37—H37	119.4
C16—Er1—C31	94.78 (7)	C39—C38—C37	122.3 (3)
O3^i—Er1—Er1^i	40.05 (4)	C39—C38—C33	119.1 (3)
O5—Er1—Er1^i	68.81 (4)	C37—C38—C33	118.6 (3)
O6—Er1—Er1^i	68.66 (4)	C40—C39—C38	122.4 (2)
O2—Er1—Er1^i	152.11 (4)	C40—C39—H39	118.8
O1—Er1—Er1^i	135.05 (4)	C38—C39—H39	118.8
O4—Er1—Er1^i	83.62 (4)	C39—C40—C41	122.6 (3)
N2—Er1—Er1^i	123.43 (5)	C39—C40—C45	119.2 (2)
O3—Er1—Er1^i	34.03 (3)	C41—C40—C45	118.2 (3)
N1—Er1—Er1^i	110.83 (5)	C42—C41—C40	121.4 (3)
C16—Er1—Er1^i	153.61 (5)	C42—C41—H41	119.3
C31—Er1—Er1^i	59.26 (5)	C40—C41—H41	119.3
O5—C1—O6^i	125.0 (2)	C41—C42—C43	121.0 (3)
O5—C1—C2	115.6 (2)	C41—C42—H42	119.5
O6^i—C1—C2	119.3 (2)	C43—C42—H42	119.5
C3—C2—C15	120.5 (2)	C44—C43—C42	120.2 (3)
C3—C2—C1	120.1 (2)	C44—C43—H43	119.9
C15—C2—C1	119.4 (2)	C42—C43—H43	119.9
C2—C3—C4	124.8 (2)	C43—C44—C45	121.6 (3)
C2—C3—C8	119.1 (3)	C43—C44—H44	119.2
C4—C3—C8	116.1 (2)	C45—C44—H44	119.2
C5—C4—C3	122.0 (3)	C32—C45—C44	123.5 (2)
C5—C4—H4	119.0	C32—C45—C40	118.8 (2)
C3—C4—H4	119.0	C44—C45—C40	117.7 (2)
C4—C5—C6	121.5 (3)	N1—C46—C47	124.6 (3)
C4—C5—H5	119.2	N1—C46—H46	117.7
C6—C5—H5	119.2	C47—C46—H46	117.7
C7—C6—C5	119.3 (3)	C48—C47—C46	118.3 (3)
C7—C6—H6	120.4	C48—C47—H47	120.9
C5—C6—H6	120.4	C46—C47—H47	120.9
C6—C7—C8	122.0 (3)	C47—C48—C49	120.1 (3)
C6—C7—H7	119.0	C47—C48—H48	119.9
C8—C7—H7	119.0	C49—C48—H48	119.9
C9—C8—C7	121.7 (3)	C48—C49—C57	117.7 (3)
C9—C8—C3	119.2 (3)	C48—C49—C50	123.9 (3)
C7—C8—C3	119.0 (3)	C57—C49—C50	118.4 (3)
C8—C9—C10	122.6 (3)	C51—C50—C49	122.4 (3)
C8—C9—H9	118.7	C51—C50—H50	118.8
C10—C9—H9	118.7	C49—C50—H50	118.8
C9—C10—C11	120.6 (3)	C50—C51—C52	121.1 (3)
C9—C10—C15	119.1 (3)	C50—C51—H51	119.5
C11—C10—C15	120.3 (3)	C52—C51—H51	119.5
C12—C11—C10	121.0 (3)	C53—C52—C56	117.8 (3)
C12—C11—H11	119.5	C53—C52—C51	123.2 (3)
C10—C11—H11	119.5	C56—C52—C51	119.0 (3)
C11—C12—C13	119.6 (3)	C54—C53—C52	120.3 (3)
C11—C12—H12	120.2	C54—C53—H53	119.9
C13—C12—H12	120.2	C52—C53—H53	119.9
C14—C13—C12	121.6 (3)	C53—C54—C55	118.8 (3)
C14—C13—H13	119.2	C53—C54—H54	120.6
C12—C13—H13	119.2	C55—C54—H54	120.6
C13—C14—C15	121.6 (3)	N2—C55—C54	123.5 (3)
C13—C14—H14	119.2	N2—C55—H55	118.3
C15—C14—H14	119.2	C54—C55—H55	118.3
C2—C15—C10	119.4 (3)	N2—C56—C52	121.8 (3)
C2—C15—C14	124.7 (2)	N2—C56—C57	118.2 (2)
C10—C15—C14	115.9 (3)	C52—C56—C57	120.0 (2)
O2—C16—O1	120.5 (2)	N1—C57—C49	122.7 (3)
O2—C16—C17	121.6 (2)	N1—C57—C56	118.1 (2)
O1—C16—C17	117.9 (2)	C49—C57—C56	119.2 (2)
O2—C16—Er1	59.57 (12)	C46—N1—C57	116.5 (2)
O1—C16—Er1	60.93 (12)	C46—N1—Er1	124.46 (18)
C17—C16—Er1	178.09 (17)	C57—N1—Er1	119.01 (16)
C18—C17—C30	121.3 (2)	C55—N2—C56	117.9 (2)
C18—C17—C16	119.1 (2)	C55—N2—Er1	120.82 (16)
C30—C17—C16	119.4 (2)	C56—N2—Er1	120.97 (16)
C17—C18—C19	123.0 (2)	C16—O1—Er1	91.65 (14)
C17—C18—C23	119.2 (2)	C16—O2—Er1	93.20 (14)
C19—C18—C23	117.7 (2)	C31—O3—Er1^i	160.33 (16)
C20—C19—C18	121.0 (3)	C31—O3—Er1	92.48 (14)
C20—C19—H19	119.5	Er1^i—O3—Er1	105.92 (6)
C18—C19—H19	119.5	C31—O4—Er1	97.34 (15)
C19—C20—C21	121.0 (3)	C1—O5—Er1	140.14 (16)
C19—C20—H20	119.5	C1^i—O6—Er1	136.02 (15)
C21—C20—H20	119.5
O5—C1—C2—C3	137.3 (2)	C49—C50—C51—C52	1.4 (5)
O6^i—C1—C2—C3	−42.5 (3)	C50—C51—C52—C53	−179.5 (3)
O5—C1—C2—C15	−40.1 (3)	C50—C51—C52—C56	−0.3 (5)
O6^i—C1—C2—C15	140.1 (2)	C56—C52—C53—C54	0.3 (4)
C15—C2—C3—C4	−178.5 (2)	C51—C52—C53—C54	179.5 (3)
C1—C2—C3—C4	4.2 (4)	C52—C53—C54—C55	0.6 (4)
C15—C2—C3—C8	2.4 (4)	C53—C54—C55—N2	−0.4 (4)
C1—C2—C3—C8	−175.0 (2)	C53—C52—C56—N2	−1.4 (4)
C2—C3—C4—C5	−178.0 (3)	C51—C52—C56—N2	179.3 (3)
C8—C3—C4—C5	1.1 (4)	C53—C52—C56—C57	177.9 (3)
C3—C4—C5—C6	−0.6 (5)	C51—C52—C56—C57	−1.4 (4)
C4—C5—C6—C7	−0.2 (5)	C48—C49—C57—N1	−1.5 (4)
C5—C6—C7—C8	0.4 (5)	C50—C49—C57—N1	178.0 (3)
C6—C7—C8—C9	−177.6 (3)	C48—C49—C57—C56	179.6 (3)
C6—C7—C8—C3	0.2 (4)	C50—C49—C57—C56	−0.9 (4)
C2—C3—C8—C9	−3.9 (4)	N2—C56—C57—N1	2.3 (3)
C4—C3—C8—C9	176.9 (2)	C52—C56—C57—N1	−177.0 (2)
C2—C3—C8—C7	178.3 (2)	N2—C56—C57—C49	−178.7 (2)
C4—C3—C8—C7	−0.9 (4)	C52—C56—C57—C49	2.0 (4)
C7—C8—C9—C10	178.9 (3)	C47—C46—N1—C57	0.9 (4)
C3—C8—C9—C10	1.2 (4)	C47—C46—N1—Er1	179.7 (2)
C8—C9—C10—C11	−176.9 (3)	C49—C57—N1—C46	0.7 (4)
C8—C9—C10—C15	3.0 (4)	C56—C57—N1—C46	179.7 (2)
C9—C10—C11—C12	−178.1 (3)	C49—C57—N1—Er1	−178.10 (19)
C15—C10—C11—C12	2.0 (4)	C56—C57—N1—Er1	0.8 (3)
C10—C11—C12—C13	−0.2 (5)	O3^i—Er1—N1—C46	81.7 (2)
C11—C12—C13—C14	−0.8 (4)	O5—Er1—N1—C46	2.1 (2)
C12—C13—C14—C15	0.0 (4)	O6—Er1—N1—C46	139.8 (2)
C3—C2—C15—C10	1.7 (4)	O2—Er1—N1—C46	−89.7 (2)
C1—C2—C15—C10	179.1 (2)	O1—Er1—N1—C46	−128.0 (2)
C3—C2—C15—C14	179.8 (2)	O4—Er1—N1—C46	−43.6 (2)
C1—C2—C15—C14	−2.9 (4)	N2—Er1—N1—C46	179.2 (2)
C9—C10—C15—C2	−4.4 (4)	O3—Er1—N1—C46	35.1 (2)
C11—C10—C15—C2	175.5 (2)	C16—Er1—N1—C46	−108.3 (2)
C9—C10—C15—C14	177.4 (2)	C31—Er1—N1—C46	−4.2 (3)
C11—C10—C15—C14	−2.7 (4)	Er1^i—Er1—N1—C46	61.2 (2)
C13—C14—C15—C2	−176.3 (2)	O3^i—Er1—N1—C57	−99.53 (18)
C13—C14—C15—C10	1.7 (4)	O5—Er1—N1—C57	−179.12 (18)
O3^i—Er1—C16—O2	85.4 (3)	O6—Er1—N1—C57	−41.5 (2)
O5—Er1—C16—O2	−31.79 (15)	O2—Er1—N1—C57	89.08 (17)
O6—Er1—C16—O2	172.61 (13)	O1—Er1—N1—C57	50.74 (18)
O1—Er1—C16—O2	179.9 (2)	O4—Er1—N1—C57	135.17 (16)
O4—Er1—C16—O2	−98.90 (15)	N2—Er1—N1—C57	−2.08 (16)
N2—Er1—C16—O2	103.82 (14)	O3—Er1—N1—C57	−146.13 (15)
O3—Er1—C16—O2	−110.37 (14)	C16—Er1—N1—C57	70.41 (18)
N1—Er1—C16—O2	42.10 (14)	C31—Er1—N1—C57	174.58 (15)
C31—Er1—C16—O2	−105.64 (14)	Er1^i—Er1—N1—C57	−120.06 (16)
Er1^i—Er1—C16—O2	−115.42 (14)	C54—C55—N2—C56	−0.7 (4)
O3^i—Er1—C16—O1	−94.4 (3)	C54—C55—N2—Er1	−174.0 (2)
O5—Er1—C16—O1	148.31 (13)	C52—C56—N2—C55	1.6 (4)
O6—Er1—C16—O1	−7.28 (14)	C57—C56—N2—C55	−177.8 (2)
O2—Er1—C16—O1	−179.9 (2)	C52—C56—N2—Er1	174.87 (19)
O4—Er1—C16—O1	81.21 (14)	C57—C56—N2—Er1	−4.4 (3)
N2—Er1—C16—O1	−76.07 (14)	O3^i—Er1—N2—C55	−109.13 (19)
O3—Er1—C16—O1	69.74 (15)	O5—Er1—N2—C55	−179.33 (17)
N1—Er1—C16—O1	−137.79 (14)	O6—Er1—N2—C55	−35.06 (18)
C31—Er1—C16—O1	74.47 (14)	O2—Er1—N2—C55	101.89 (19)
Er1^i—Er1—C16—O1	64.69 (19)	O1—Er1—N2—C55	47.16 (18)
O2—C16—C17—C18	−84.8 (3)	O4—Er1—N2—C55	40.6 (2)
O1—C16—C17—C18	93.4 (3)	O3—Er1—N2—C55	−46.9 (2)
O2—C16—C17—C30	100.4 (3)	N1—Er1—N2—C55	176.5 (2)
O1—C16—C17—C30	−81.5 (3)	C16—Er1—N2—C55	75.34 (19)
C30—C17—C18—C19	−177.5 (2)	C31—Er1—N2—C55	0.1 (3)
C16—C17—C18—C19	7.8 (4)	Er1^i—Er1—N2—C55	−84.98 (19)
C30—C17—C18—C23	4.2 (4)	O3^i—Er1—N2—C56	77.75 (18)
C16—C17—C18—C23	−170.5 (2)	O5—Er1—N2—C56	7.6 (2)
C17—C18—C19—C20	−179.2 (3)	O6—Er1—N2—C56	151.83 (19)
C23—C18—C19—C20	−0.9 (4)	O2—Er1—N2—C56	−71.22 (18)
C18—C19—C20—C21	0.8 (5)	O1—Er1—N2—C56	−125.95 (18)
C19—C20—C21—C22	0.4 (5)	O4—Er1—N2—C56	−132.49 (17)
C20—C21—C22—C23	−1.4 (5)	O3—Er1—N2—C56	140.01 (16)
C21—C22—C23—C24	−180.0 (3)	N1—Er1—N2—C56	3.37 (17)
C21—C22—C23—C18	1.2 (4)	C16—Er1—N2—C56	−97.78 (18)
C17—C18—C23—C24	−0.6 (4)	C31—Er1—N2—C56	−173.02 (16)
C19—C18—C23—C24	−178.9 (2)	Er1^i—Er1—N2—C56	101.91 (17)
C17—C18—C23—C22	178.3 (2)	O2—C16—O1—Er1	−0.1 (2)
C19—C18—C23—C22	−0.1 (4)	C17—C16—O1—Er1	−178.29 (18)
C22—C23—C24—C25	178.4 (3)	O3^i—Er1—O1—C16	150.15 (14)
C18—C23—C24—C25	−2.8 (4)	O5—Er1—O1—C16	−42.06 (16)
C23—C24—C25—C26	−179.6 (2)	O6—Er1—O1—C16	172.80 (14)
C23—C24—C25—C30	2.5 (4)	O2—Er1—O1—C16	0.06 (13)
C24—C25—C26—C27	−178.7 (3)	O4—Er1—O1—C16	−88.67 (14)
C30—C25—C26—C27	−0.8 (4)	N2—Er1—O1—C16	95.81 (14)
C25—C26—C27—C28	−1.0 (4)	O3—Er1—O1—C16	−121.30 (13)
C26—C27—C28—C29	2.3 (4)	N1—Er1—O1—C16	46.86 (15)
C27—C28—C29—C30	−1.8 (4)	C31—Er1—O1—C16	−106.00 (14)
C18—C17—C30—C29	177.5 (2)	Er1^i—Er1—O1—C16	−145.34 (12)
C16—C17—C30—C29	−7.8 (4)	O1—C16—O2—Er1	0.1 (2)
C18—C17—C30—C25	−4.5 (4)	C17—C16—O2—Er1	178.22 (19)
C16—C17—C30—C25	170.2 (2)	O3^i—Er1—O2—C16	−151.89 (14)
C28—C29—C30—C17	178.0 (2)	O5—Er1—O2—C16	150.41 (14)
C28—C29—C30—C25	0.0 (4)	O6—Er1—O2—C16	−9.61 (17)
C24—C25—C30—C17	1.1 (3)	O1—Er1—O2—C16	−0.06 (13)
C26—C25—C30—C17	−176.8 (2)	O4—Er1—O2—C16	73.36 (14)
C24—C25—C30—C29	179.2 (2)	N2—Er1—O2—C16	−71.41 (14)
C26—C25—C30—C29	1.3 (3)	O3—Er1—O2—C16	87.07 (15)
O3^i—Er1—C31—O4	−167.36 (16)	N1—Er1—O2—C16	−135.72 (15)
O5—Er1—C31—O4	−94.70 (17)	C31—Er1—O2—C16	78.19 (15)
O6—Er1—C31—O4	119.80 (17)	Er1^i—Er1—O2—C16	120.91 (13)
O2—Er1—C31—O4	−11.31 (17)	O4—C31—O3—Er1^i	−153.8 (3)
O1—Er1—C31—O4	41.77 (16)	C32—C31—O3—Er1^i	27.3 (6)
N2—Er1—C31—O4	85.7 (2)	Er1—C31—O3—Er1^i	−159.5 (5)
O3—Er1—C31—O4	−174.2 (3)	O4—C31—O3—Er1	5.7 (2)
N1—Er1—C31—O4	−88.4 (2)	C32—C31—O3—Er1	−173.23 (19)
C16—Er1—C31—O4	15.40 (17)	O3^i—Er1—O3—C31	−172.96 (17)
Er1^i—Er1—C31—O4	−169.64 (18)	O5—Er1—O3—C31	−92.05 (14)
O3^i—Er1—C31—O3	6.86 (17)	O6—Er1—O3—C31	108.10 (14)
O5—Er1—C31—O3	79.52 (14)	O2—Er1—O3—C31	−20.70 (16)
O6—Er1—C31—O3	−65.98 (13)	O1—Er1—O3—C31	38.00 (14)
O2—Er1—C31—O3	162.91 (13)	O4—Er1—O3—C31	−3.15 (14)
O1—Er1—C31—O3	−144.01 (14)	N2—Er1—O3—C31	120.07 (15)
O4—Er1—C31—O3	174.2 (3)	N1—Er1—O3—C31	−125.76 (14)
N2—Er1—C31—O3	−100.08 (17)	C16—Er1—O3—C31	11.06 (16)
N1—Er1—C31—O3	85.83 (18)	Er1^i—Er1—O3—C31	−172.96 (17)
C16—Er1—C31—O3	−170.38 (14)	O3^i—Er1—O3—Er1^i	0.0
Er1^i—Er1—C31—O3	4.58 (11)	O5—Er1—O3—Er1^i	80.90 (7)
O4—C31—C32—C45	−83.1 (3)	O6—Er1—O3—Er1^i	−78.94 (7)
O3—C31—C32—C45	95.7 (3)	O2—Er1—O3—Er1^i	152.26 (6)
O4—C31—C32—C33	97.3 (3)	O1—Er1—O3—Er1^i	−149.04 (6)
O3—C31—C32—C33	−83.8 (3)	O4—Er1—O3—Er1^i	169.81 (11)
C45—C32—C33—C34	179.5 (2)	N2—Er1—O3—Er1^i	−66.97 (12)
C31—C32—C33—C34	−0.9 (4)	N1—Er1—O3—Er1^i	47.20 (11)
C45—C32—C33—C38	0.1 (4)	C16—Er1—O3—Er1^i	−175.99 (7)
C31—C32—C33—C38	179.6 (2)	C31—Er1—O3—Er1^i	172.96 (17)
C32—C33—C34—C35	−178.2 (3)	O3—C31—O4—Er1	−5.9 (3)
C38—C33—C34—C35	1.3 (4)	C32—C31—O4—Er1	172.9 (2)
C33—C34—C35—C36	−0.3 (4)	O3^i—Er1—O4—C31	14.97 (19)
C34—C35—C36—C37	−0.4 (5)	O5—Er1—O4—C31	78.62 (16)
C35—C36—C37—C38	0.1 (4)	O6—Er1—O4—C31	−59.11 (16)
C36—C37—C38—C39	179.2 (3)	O2—Er1—O4—C31	168.63 (17)
C36—C37—C38—C33	0.9 (4)	O1—Er1—O4—C31	−134.61 (17)
C32—C33—C38—C39	−0.4 (4)	N2—Er1—O4—C31	−127.99 (16)
C34—C33—C38—C39	−179.9 (2)	O3—Er1—O4—C31	3.23 (14)
C32—C33—C38—C37	178.0 (2)	N1—Er1—O4—C31	123.53 (16)
C34—C33—C38—C37	−1.5 (4)	C16—Er1—O4—C31	−163.74 (18)
C37—C38—C39—C40	−178.0 (3)	Er1^i—Er1—O4—C31	8.95 (15)
C33—C38—C39—C40	0.3 (4)	O6^i—C1—O5—Er1	−1.2 (4)
C38—C39—C40—C41	179.9 (3)	C2—C1—O5—Er1	178.95 (15)
C38—C39—C40—C45	0.2 (4)	O3^i—Er1—O5—C1	36.0 (2)
C39—C40—C41—C42	179.7 (3)	O6—Er1—O5—C1	−12.9 (3)
C45—C40—C41—C42	−0.6 (5)	O2—Er1—O5—C1	−171.0 (2)
C40—C41—C42—C43	−0.4 (5)	O1—Er1—O5—C1	−137.8 (2)
C41—C42—C43—C44	1.0 (5)	O4—Er1—O5—C1	−93.5 (2)
C42—C43—C44—C45	−0.7 (5)	N2—Er1—O5—C1	111.5 (2)
C33—C32—C45—C44	179.2 (2)	O3—Er1—O5—C1	−41.6 (2)
C31—C32—C45—C44	−0.4 (4)	N1—Er1—O5—C1	115.4 (2)
C33—C32—C45—C40	0.4 (4)	C16—Er1—O5—C1	−157.0 (2)
C31—C32—C45—C40	−179.2 (2)	C31—Er1—O5—C1	−68.2 (2)
C43—C44—C45—C32	−179.1 (3)	Er1^i—Er1—O5—C1	−5.3 (2)
C43—C44—C45—C40	−0.2 (4)	O3^i—Er1—O6—C1^i	−29.2 (2)
C39—C40—C45—C32	−0.5 (4)	O5—Er1—O6—C1^i	20.2 (3)
C41—C40—C45—C32	179.8 (2)	O2—Er1—O6—C1^i	170.1 (2)
C39—C40—C45—C44	−179.4 (2)	O1—Er1—O6—C1^i	162.2 (2)
C41—C40—C45—C44	0.9 (4)	O4—Er1—O6—C1^i	94.4 (2)
N1—C46—C47—C48	−1.8 (5)	N2—Er1—O6—C1^i	−124.1 (2)
C46—C47—C48—C49	1.0 (5)	O3—Er1—O6—C1^i	48.7 (2)
C47—C48—C49—C57	0.5 (4)	N1—Er1—O6—C1^i	−87.8 (2)
C47—C48—C49—C50	−178.9 (3)	C16—Er1—O6—C1^i	165.6 (2)
C48—C49—C50—C51	178.7 (3)	C31—Er1—O6—C1^i	73.1 (2)
C57—C49—C50—C51	−0.8 (5)	Er1^i—Er1—O6—C1^i	12.6 (2)

Symmetry code: (i) −x+1, −y+1, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
C11—H11···Cg1^ii	0.93	2.75	3.642 (5)	162
C50—H50···Cg2^iii	0.93	2.91	3.668 (5)	140
C19—H19···Cg3	0.93	2.86	3.567 (4)	134

Symmetry codes: (ii) −x+2, −y+2, −z+1; (iii) −x+2, −y+1, −z+1.