Poly[[μ2-aqua-tetraaquadi-μ3-malonato-nickel(II)strontium(II)] dihydrate]

Guo, M.-L.; Liu, L.; Lu, C.-C.

doi:10.1107/S1600536810049779

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 1| January 2011| Pages m19-m20

https://doi.org/10.1107/S1600536810049779

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Poly[[μ₂-aqua-tetraaquadi-μ₃-malonato-nickel(II)strontium(II)] dihydrate]

Ming-Lin Guo,^a ^* Long Liu ^a and Cong-Cong Lu ^a

^aSchool of Environment and Chemical Engineering and Key Laboratory of Hollow Fiber Membrane Materials & Membrane Processes, Tianjin Polytechnic University, Tianjin 300160, People's Republic of China
^*Correspondence e-mail: guomlin@yahoo.com

(Received 17 November 2010; accepted 29 November 2010; online 4 December 2010)

The unit-cell parameters for the title mixed-metal coordination polymer, {[NiSr(C₃H₂O₄)₂(H₂O)₅]·2H₂O}_n, which is isostructural with its Co-containing analogue, were reported previously [Gil de Muro et al. (1999 ). Eur. J. Inorg. Chem. pp. 935–943]; the full crystal structure including a description of the hydrogen bonding is reported here. The Sr²⁺ ion is bonded to five O atoms from three different malonate dianions and four water molecules, displaying a distorted tricapped trigonal–prismatic coordination geometry. Two malonate dianions, two water molecules and one Ni²⁺ ion build up a dianionic [Ni(C₃H₂O₄)₂(H₂O)₂]²⁻ unit incorporating a slightly distorted NiO₆ octahedron, which coordinates to three nearby Sr²⁺ ions. This arrangement creates a metal-organic framework having a 20-membered ring with four Ni and six Sr atoms lying in the bc plane. The coordinated and uncoordinated water molecules are responsible for the formation of two D5 hydrogen-bonded water chains within the 20-membered ring and they are linked into an R4 water cluster via two bifurcated O—H⋯(O,O) links.

Related literature

For the cobalt-containing analogue of the title compound and the previous unit-cell determination, see: Gil de Muro et al. (1999). For a related structure, see: Gil de Muro et al. (2000 ). For hydrogen-bonded water clusters, see: Infantes & Motherwell (2002 ). For graph-set notation, see: Bernstein et al. (1995 ).

Experimental

Crystal data

[NiSr(C₃H₂O₄)₂(H₂O)₅]·2H₂O
M_r = 476.53
Monoclinic, P 2₁ /c
a = 6.7745 (14) Å
b = 14.220 (3) Å
c = 15.629 (3) Å
β = 101.10 (3)°
V = 1477.4 (5) Å³
Z = 4
Mo Kα radiation
μ = 4.97 mm⁻¹
T = 294 K
0.12 × 0.06 × 0.04 mm

Data collection

Rigaku Saturn CCD area-detector diffractometer
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005 ) T_min = 0.548, T_max = 0.712
9983 measured reflections
2609 independent reflections
2235 reflections with I > 2σ(I)
R_int = 0.045

Refinement

R[F² > 2σ(F²)] = 0.035
wR(F²) = 0.098
S = 1.05
2609 reflections
208 parameters
H-atom parameters constrained
Δρ_max = 0.78 e Å⁻³
Δρ_min = −0.59 e Å⁻³

Table 1
Selected bond lengths (Å)

Sr1—O11	2.556 (2)
Sr1—O12	2.574 (3)
Sr1—O2ⁱ	2.581 (3)
Sr1—O6ⁱⁱ	2.598 (3)
Sr1—O13	2.618 (3)
Sr1—O2	2.660 (3)
Sr1—O13ⁱⁱⁱ	2.688 (2)
Sr1—O1	2.751 (3)
Sr1—O5ⁱⁱ	2.816 (3)
Ni1—O4	2.020 (3)
Ni1—O7	2.024 (3)
Ni1—O5	2.026 (2)
Ni1—O1	2.032 (3)
Ni1—O9	2.038 (3)
Ni1—O10	2.064 (3)
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) -x+2, -y+1, -z+1.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O15—H15A⋯O14^iv	0.84	2.26	2.997 (5)	148
O15—H15A⋯O14	0.84	2.33	2.867 (5)	123
O15—H15B⋯O3^v	0.85	2.29	2.881 (7)	127
O14—H14B⋯O8^vi	0.86	2.21	3.072 (5)	176
O14—H14A⋯O10ⁱⁱ	0.86	2.14	2.936 (4)	152
O13—H13B⋯O11ⁱ	0.85	1.93	2.728 (4)	155
O13—H13A⋯O7ⁱⁱⁱ	0.85	2.01	2.836 (4)	163
O12—H12B⋯O7	0.85	2.42	3.080 (4)	135
O12—H12B⋯O9	0.85	2.36	3.094 (5)	144
O12—H12A⋯O3^vii	0.85	1.94	2.772 (4)	166
O11—H11B⋯O8^vi	0.85	1.83	2.681 (4)	176
O11—H11A⋯O4ⁱⁱ	0.85	1.89	2.727 (4)	172
O10—H10B⋯O6^viii	0.85	1.91	2.728 (4)	162
O10—H10A⋯O3^ix	0.85	1.86	2.714 (4)	178
O9—H9B⋯O15	0.85	1.84	2.663 (5)	162
O9—H9A⋯O8^vi	0.84	1.81	2.652 (4)	173
Symmetry codes: (i) -x+1, -y+1, -z+1; (ii) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iii) -x+2, -y+1, -z+1; (iv) -x+1, -y, -z+1; (v) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (vi) x-1, y, z; (vii) $[x+1, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (viii) $[-x+2, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ix) x+1, y, z.

Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear; data reduction: CrystalClear; 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: https://doi.org/10.1107/S1600536810049779/hb5748sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S1600536810049779/hb5748Isup2.hkl

checkCIF report

Comment top

Here we report the structure of the title compound, (I), [SrNi(mal)₂(H₂O)₅].2H₂O (mal = malonate dianion). Although isotypic complex [SrCo(mal)₂(H₂O)₅].2H₂O (Gil de Muro et al., 1999) had been reported, the difficulty in locating the water hydrogen atoms prevents from description of hydrogen bonding for the structure. Herein, we report the structure of the title heterobimetallic malonate complex, (I), with dianionic [Ni(C₃H₂O₄)₂(H₂O)₂]^2- structure,

The asymmetric unit in the structure of (I) comprises one Sr atom, one [Ni(C₃H₂O₄)₂(H₂O)₂]^2- dianion, three coordinated water and two solvent water molecules, and is shown in Fig. 1 in a symmetry-expanded view which displays the full coordination of the Ni and Sr atom. Selected geometric parameters are given in Table 1. The Ni atom has a slightly enlongated axial distortion octahedral coordination. The Ni1 atom deviates by 0.0251 (4)Å from the least-squares plane defined by four O atoms subtended by the two ligands at its metal atom. The O—Ni—O angles are close to 90°, the mean Ni1—O bond distance are 2.026 (2) Å. These are somewhat shorter than those (2.051 (3) Å) in [CaNi(mal)₂(H₂O)₂].2H₂O (Gil de Muro et al., 2000), while the Ni—O_water bonds except for Ni1—O9(2.038 (3) Å) are in good agreement with those (2.066 (4) Å) observed for above-mentioned compounds. The variability of the coordination modes of malonate ligands, monodentate, bidentate chelating, chelated six-membered and bridging bonding modes, are all present. As can be seen in Table 1, the O—C—O angles for carboxylate groups of two malonates range from 120.9 (3) to 123.9 (4)°, all of the C—O bond distances are in the range 1.246 (4)–1.265 (4)Å except the shortest O7—C6 being 1.233 (4)Å and the longest O1—C1 being 1.272 (4) Å. These indicate that all of carboxylate groups of malonates are somewhat delocalized.

The coordination polyhedron around the Sr atom is a nine-coordinate distorted tricapped trigonal prism defined by five O atoms from three carboxylate groups and four O atoms from coordinated water molecules. Two of the three carboxylate groups coordinate with the Sr atom in a chelate fashion, whereas the other one is in a bridging mode and serve as bridges between two Sr atoms. Atoms O1, O2, O13 and O13ⁱⁱⁱ (see Fig. 1 for symmetry codes) are coplanar within deviations of less than 0.128 (2)Å and form one uncapped rectangular face. Atoms O2, O13, O5ⁱⁱ and O11 are coplanar, with no deviations of more than 0.150 (2) Å, and form the second rectangular face, with O6ⁱⁱ and O2ⁱ as the capping atoms. Atoms O1, O11, O5ⁱⁱ and O13ⁱⁱⁱ are in the same plane with displacements of less than 0.142 (3) Å, forming the third rectangular face capped by atom O12. The angle between the planes defined by the triangles O1/O2/O11 and O5ⁱⁱ/O13/O13ⁱⁱⁱ is 2.67 (14)°. The average Sr1—O distance are 2.649 (2) Å, slightly shorter than those in [SrCo(mal)₂(H₂O)₅].2H₂O (Gil de Muro et al., 1999). The strontium polyhedra are linked to a dimer via bridge atoms O2 and O2ⁱ as a common edge. The dianionic [Ni(mal)₂(H₂O)₂]^2- act as building blocks to coordinating to three Sr atoms (Fig. 1) via atoms O5, O6, O1 and O2. As the result, each group of four atoms Ni, and six Sr build up a decanuclear 20-membered ring at bc plane direction. These are further joined into a two-dimensional layer (Fig. 2). The Sr dimers are further linked between them along the a direction via other common edge, O13—O13ⁱⁱⁱ, due to the presence of an inversion center at the middle point of these edges, forming a zigzag SrO₇ chain. And as chains of edge-sharing Sr polyhedra propagate in the direction of the a axis and strontium polyhedra chains are linked between them by corner-sharing NiO₆ distorted octahedra, thus, three-dimensional metal-organic framework is completed.

Solvent water molecules are embed in such decanuclear 20-membered rings composed of four [Ni(mal)₂(H₂O)₂]^2- connecting the Sr dimers. Hydrogen-bonding interactions between them are responsible for the conformation of a R4 water cluster with overhanging water molecules (Infantes & Motherwell, 2002). The detailed structure of the water cluster is shown in Figure 2. First, the solvent water molecules are linked into a D5 water chain of O12, O9, O15, O14 and O10ⁱⁱ. Atom H15A as a bifurcated hydrogen one, the four solvent water molecules are further connected via H15A and symmetry-expanded hydrogen bonds and produce this R4 water cluster. As can be seen from Table 2 and Figure 2, within the water cluster, water molecules O14 displays tetrahedral geometry with double hydrogen-bond donors and acceptors. The O···O distances are in range of 2.663 (5)–3.094 (5) Å with an average of 2.89 (1) Å.

The dianionic [Ni(mal)₂(H₂O)₂]^2- act as both hydrogen-bonded donors and acceptors and engage in distinct hydrogen-bonding interactions (Fig. 3 and Table 2). Except for their conformation of R₂²(12) ring between two adjacent dianions, at least there are the following hydrogen-bonded graph sets (Bernstein, et al., 1995): (1) the non-coordinated O8 atom is involved in forming strong hydrogen bond O11—H11B···O8^vii and responsible for the conformation of two 8-membered hydrogen bonded ring R₃³(8) and R₃²(8); (2) hydrogen bond O12—H12B···O9 engage in the formation of a S(6) ring and a three-center hydrogen bond R₁²(4) via atom O7. (3) H atoms of water molecule O9 act as proton donors, coordinate to O15 and O8^vii as acceptors, and further via water molecule O14, build up an 8-membered ring R₄³(8) motif; (4) hydrogen bond O10—H10B···O6^ix participate in the conformation of an 8-membered hydrogen bonded ring R₂²(8) and a S(8) hydrogen bonded ring motif via two Sr atoms and one Ni atom. In addition, around the Sr dimers there is a S(6) ring hydrogen-bonded graph set via O13—H13B···O11ⁱ hydrogen bonds. These play an important role in manipulation of the three-dimensional metal-organic framework with pore.

Related literature top

For the cobalt-containing analogue of the title compound and the previous unit-cell determination, see: Gil de Muro et al. (1999). For a related structure, see: Gil de Muro et al. (2000). For hydrogen bonded water clusters, see: Infantes & Motherwell (2002). For graph-set notation, see: Bernstein et al. (1995).

Experimental top

The title complex was prepared under continuous stirring with successive addition of CH₂(COONa)₂.H₂O (0.33 g, 2 mmol), NiCl₂.6H₂O (0.24 g, 1 mmol), and Sr(NO₃)₂ (0.21 g, 1 mmol) to distilled water (10 ml) at room temperature. After filtration, slow evaporation over a period of two days at room temperature provided pale green prisms of (I).

Structure description top

For the cobalt-containing analogue of the title compound and the previous unit-cell determination, see: Gil de Muro et al. (1999). For a related structure, see: Gil de Muro et al. (2000). For hydrogen bonded water clusters, see: Infantes & Motherwell (2002). For graph-set notation, see: Bernstein et al. (1995).

Computing details top

Data collection: CrystalClear (Rigaku/MSC, 2005); cell refinement: CrystalClear (Rigaku/MSC, 2005); data reduction: CrystalClear (Rigaku/MSC, 2005); 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).

Figures top

	Fig. 1. A view of the structure of (I), showing the coordination environment for Sr and Ni atoms; displacement ellipsoids were drawn at the 30% probability level [Symmetry codes: (i) -x + 1, -y + 1, -z + 1; (ii) x, -y + 1/2, z + 1/2; (iii) -x + 2, -y + 1, -z + 1; (iv) x, -y + 1/2, z - 1/2].
	Fig. 2. The packing diagram of (I), viewed down the a axis, showing its 20-membered structure and water cluster in the direaction of bc plane.
	Fig. 3. The packing diagram of (I), showing hydrogen-bonding interactions between the [Ni(mal)₂(H₂O)₂]^2- dianions and water molecules, viewed down the c axis.

Poly[[µ₂-aqua-tetraaquadi-µ₃-malonato-nickel(II)strontium(II)] dihydrate] top

Crystal data top

[NiSr(C₃H₂O₄)₂(H₂O)₅]·2H₂O	F(000) = 960
M_r = 476.53	D_x = 2.142 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 11235 reflections
a = 6.7745 (14) Å	θ = 1.3–28.2°
b = 14.220 (3) Å	µ = 4.97 mm⁻¹
c = 15.629 (3) Å	T = 294 K
β = 101.10 (3)°	Prism, green
V = 1477.4 (5) Å³	0.12 × 0.06 × 0.04 mm
Z = 4

Data collection top

Rigaku Saturn CCD area-detector diffractometer	2609 independent reflections
Radiation source: rotating anode	2235 reflections with I > 2σ(I)
Confocal monochromator	R_int = 0.045
Detector resolution: 28.57 pixels mm^-1	θ_max = 25.0°, θ_min = 2.0°
ω scans	h = −7→8
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005)	k = −13→16
T_min = 0.548, T_max = 0.712	l = −18→18
9983 measured reflections

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.035	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.098	H-atom parameters constrained
S = 1.05	w = 1/[σ²(F_o²) + (0.0667P)²] where P = (F_o² + 2F_c²)/3
2609 reflections	(Δ/σ)_max = 0.001
208 parameters	Δρ_max = 0.78 e Å⁻³
0 restraints	Δρ_min = −0.59 e Å⁻³

Crystal data top

[NiSr(C₃H₂O₄)₂(H₂O)₅]·2H₂O	V = 1477.4 (5) Å³
M_r = 476.53	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 6.7745 (14) Å	µ = 4.97 mm⁻¹
b = 14.220 (3) Å	T = 294 K
c = 15.629 (3) Å	0.12 × 0.06 × 0.04 mm
β = 101.10 (3)°

Data collection top

Rigaku Saturn CCD area-detector diffractometer	2609 independent reflections
Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005)	2235 reflections with I > 2σ(I)
T_min = 0.548, T_max = 0.712	R_int = 0.045
9983 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.035	0 restraints
wR(F²) = 0.098	H-atom parameters constrained
S = 1.05	Δρ_max = 0.78 e Å⁻³
2609 reflections	Δρ_min = −0.59 e Å⁻³
208 parameters

Special details top

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 (Å²) top

	x	y	z	U_iso*/U_eq
Sr1	0.76917 (4)	0.41527 (3)	0.54827 (2)	0.03336 (14)
Ni1	0.77798 (6)	0.26471 (3)	0.29429 (3)	0.03640 (16)
O1	0.6901 (3)	0.35987 (19)	0.37645 (16)	0.0383 (6)
O2	0.4937 (4)	0.46958 (19)	0.41211 (16)	0.0376 (6)
O3	0.2090 (5)	0.3344 (3)	0.1625 (3)	0.0892 (15)
O4	0.4994 (4)	0.2690 (2)	0.21955 (17)	0.0426 (6)
O5	0.8646 (4)	0.16635 (19)	0.21529 (16)	0.0376 (6)
O6	1.0210 (4)	0.03826 (19)	0.18917 (16)	0.0393 (6)
O7	1.0539 (4)	0.2606 (2)	0.37197 (18)	0.0466 (7)
O8	1.3529 (4)	0.2065 (2)	0.4271 (2)	0.0600 (9)
C1	0.5431 (5)	0.4164 (3)	0.3563 (2)	0.0353 (8)
C2	0.4297 (6)	0.4246 (3)	0.2641 (3)	0.0430 (9)
H2A	0.5089	0.4630	0.2320	0.052*
H2B	0.3057	0.4584	0.2650	0.052*
C3	0.3765 (5)	0.3345 (3)	0.2136 (3)	0.0468 (10)
C4	1.0035 (5)	0.1073 (3)	0.2363 (2)	0.0372 (8)
C5	1.1565 (7)	0.1145 (4)	0.3191 (3)	0.0618 (13)
H5A	1.2856	0.1000	0.3042	0.074*
H5B	1.1275	0.0639	0.3565	0.074*
C6	1.1875 (5)	0.2012 (3)	0.3748 (2)	0.0399 (9)
O9	0.6818 (5)	0.1619 (2)	0.3674 (2)	0.0703 (11)
H9A	0.5832	0.1782	0.3899	0.084*
H9B	0.7235	0.1063	0.3805	0.084*
O10	0.8706 (3)	0.37394 (19)	0.22446 (16)	0.0380 (6)
H10A	0.9763	0.3629	0.2042	0.046*
H10B	0.8794	0.4243	0.2542	0.046*
O11	0.4547 (3)	0.32253 (19)	0.56368 (16)	0.0384 (6)
H11A	0.4583	0.2973	0.6130	0.046*
H11B	0.4168	0.2852	0.5212	0.046*
O12	0.8968 (4)	0.24515 (19)	0.54373 (17)	0.0418 (6)
H12A	1.0020	0.2298	0.5801	0.050*
H12B	0.8940	0.2226	0.4933	0.050*
O13	0.8855 (4)	0.58384 (18)	0.51241 (16)	0.0380 (6)
H13A	0.9186	0.6223	0.5544	0.046*
H13B	0.7751	0.5986	0.4787	0.046*
O14	0.5916 (6)	0.0732 (3)	0.5637 (2)	0.0772 (11)
H14A	0.6736	0.1063	0.6009	0.093*
H14B	0.5234	0.1080	0.5238	0.093*
O15	0.8248 (5)	0.0017 (3)	0.4433 (2)	0.0769 (11)
H15A	0.7252	−0.0157	0.4633	0.092*
H15B	0.8963	−0.0419	0.4283	0.092*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Sr1	0.0315 (2)	0.0324 (2)	0.0327 (2)	0.00063 (12)	−0.00229 (14)	−0.00001 (13)
Ni1	0.0387 (3)	0.0331 (3)	0.0342 (3)	0.0033 (2)	−0.0009 (2)	−0.0006 (2)
O1	0.0380 (13)	0.0386 (16)	0.0344 (13)	0.0057 (11)	−0.0024 (11)	−0.0025 (11)
O2	0.0367 (13)	0.0369 (16)	0.0363 (13)	0.0007 (11)	−0.0004 (11)	−0.0015 (12)
O3	0.0387 (16)	0.121 (4)	0.097 (3)	0.0142 (19)	−0.0150 (17)	−0.071 (3)
O4	0.0397 (14)	0.0407 (16)	0.0439 (15)	−0.0028 (12)	−0.0005 (12)	−0.0084 (12)
O5	0.0378 (13)	0.0351 (16)	0.0369 (13)	0.0038 (11)	−0.0004 (10)	−0.0023 (11)
O6	0.0427 (14)	0.0339 (15)	0.0374 (14)	0.0031 (11)	−0.0015 (11)	−0.0030 (12)
O7	0.0522 (16)	0.0419 (17)	0.0385 (14)	0.0117 (13)	−0.0093 (12)	−0.0049 (12)
O8	0.0359 (14)	0.070 (2)	0.0674 (19)	0.0041 (14)	−0.0073 (14)	−0.0353 (18)
C1	0.0328 (17)	0.033 (2)	0.037 (2)	−0.0026 (15)	0.0001 (15)	0.0012 (16)
C2	0.040 (2)	0.046 (3)	0.039 (2)	0.0068 (17)	−0.0019 (16)	−0.0027 (18)
C3	0.0317 (18)	0.058 (3)	0.047 (2)	0.0000 (18)	−0.0009 (16)	−0.018 (2)
C4	0.0377 (19)	0.034 (2)	0.039 (2)	−0.0009 (16)	0.0039 (16)	−0.0020 (17)
C5	0.051 (2)	0.050 (3)	0.069 (3)	0.017 (2)	−0.026 (2)	−0.023 (2)
C6	0.0361 (19)	0.040 (2)	0.041 (2)	−0.0013 (16)	0.0014 (16)	−0.0027 (17)
O9	0.073 (2)	0.048 (2)	0.102 (3)	0.0248 (17)	0.048 (2)	0.0311 (19)
O10	0.0368 (12)	0.0344 (15)	0.0393 (14)	0.0015 (11)	−0.0011 (11)	−0.0032 (12)
O11	0.0390 (13)	0.0378 (16)	0.0341 (13)	−0.0024 (11)	−0.0039 (10)	0.0006 (11)
O12	0.0435 (14)	0.0413 (17)	0.0358 (13)	0.0036 (12)	−0.0040 (11)	0.0002 (11)
O13	0.0344 (12)	0.0370 (16)	0.0387 (14)	0.0030 (10)	−0.0025 (11)	−0.0025 (11)
O14	0.076 (2)	0.081 (3)	0.065 (2)	−0.016 (2)	−0.0118 (18)	0.0063 (19)
O15	0.080 (2)	0.058 (2)	0.097 (3)	0.025 (2)	0.030 (2)	0.027 (2)

Geometric parameters (Å, º) top

Sr1—O11	2.556 (2)	C1—C2	1.502 (5)
Sr1—O12	2.574 (3)	C2—C3	1.512 (6)
Sr1—O2ⁱ	2.581 (3)	C2—H2A	0.9700
Sr1—O6ⁱⁱ	2.598 (3)	C2—H2B	0.9700
Sr1—O13	2.618 (3)	C4—C5	1.498 (6)
Sr1—O2	2.660 (3)	C5—C6	1.500 (6)
Sr1—O13ⁱⁱⁱ	2.688 (2)	C5—H5A	0.9700
Sr1—O1	2.751 (3)	C5—H5B	0.9700
Sr1—O5ⁱⁱ	2.816 (3)	O9—H9A	0.8447
Ni1—O4	2.020 (3)	O9—H9B	0.8514
Ni1—O7	2.024 (3)	O10—H10A	0.8512
Ni1—O5	2.026 (2)	O10—H10B	0.8504
Ni1—O1	2.032 (3)	O11—H11A	0.8461
Ni1—O9	2.038 (3)	O11—H11B	0.8497
Ni1—O10	2.064 (3)	O12—H12A	0.8499
O1—C1	1.272 (4)	O12—H12B	0.8484
O2—C1	1.247 (4)	O13—H13A	0.8504
O3—C3	1.255 (5)	O13—H13B	0.8538
O4—C3	1.240 (5)	O14—H14A	0.8626
O5—C4	1.257 (5)	O14—H14B	0.8589
O6—C4	1.247 (5)	O15—H15A	0.8350
O7—C6	1.233 (5)	O15—H15B	0.8470
O8—C6	1.256 (5)

O11—Sr1—O12	78.94 (8)	O4—Ni1—O7	178.51 (10)
O11—Sr1—O2ⁱ	71.25 (9)	O4—Ni1—O5	90.94 (10)
O12—Sr1—O2ⁱ	148.61 (8)	O7—Ni1—O5	90.19 (11)
O11—Sr1—O6ⁱⁱ	118.33 (8)	O4—Ni1—O1	89.44 (10)
O12—Sr1—O6ⁱⁱ	95.34 (8)	O7—Ni1—O1	89.39 (10)
O2ⁱ—Sr1—O6ⁱⁱ	90.35 (8)	O5—Ni1—O1	178.06 (10)
O11—Sr1—O13	141.58 (8)	O4—Ni1—O9	88.97 (13)
O12—Sr1—O13	137.57 (8)	O7—Ni1—O9	90.06 (14)
O2ⁱ—Sr1—O13	73.77 (8)	O5—Ni1—O9	90.45 (12)
O6ⁱⁱ—Sr1—O13	76.88 (8)	O1—Ni1—O9	87.66 (12)
O11—Sr1—O2	75.89 (8)	O4—Ni1—O10	90.96 (11)
O12—Sr1—O2	115.99 (8)	O7—Ni1—O10	89.96 (11)
O2ⁱ—Sr1—O2	66.27 (9)	O5—Ni1—O10	92.53 (10)
O6ⁱⁱ—Sr1—O2	148.12 (9)	O1—Ni1—O10	89.36 (11)
O13—Sr1—O2	75.91 (8)	O9—Ni1—O10	177.02 (12)
O11—Sr1—O13ⁱⁱⁱ	146.45 (8)	C1—O1—Ni1	125.2 (2)
O12—Sr1—O13ⁱⁱⁱ	71.04 (8)	C1—O1—Sr1	93.2 (2)
O2ⁱ—Sr1—O13ⁱⁱⁱ	140.29 (8)	Ni1—O1—Sr1	141.44 (12)
O6ⁱⁱ—Sr1—O13ⁱⁱⁱ	79.85 (8)	C1—O2—Sr1ⁱ	147.4 (2)
O13—Sr1—O13ⁱⁱⁱ	66.54 (9)	C1—O2—Sr1	98.2 (2)
O2—Sr1—O13ⁱⁱⁱ	103.91 (8)	Sr1ⁱ—O2—Sr1	113.73 (9)
O11—Sr1—O1	86.27 (8)	C3—O4—Ni1	127.2 (3)
O12—Sr1—O1	72.98 (8)	C4—O5—Ni1	126.3 (2)
O2ⁱ—Sr1—O1	113.72 (8)	C4—O5—Sr1^iv	89.6 (2)
O6ⁱⁱ—Sr1—O1	150.82 (7)	Ni1—O5—Sr1^iv	143.89 (12)
O13—Sr1—O1	93.63 (8)	C4—O6—Sr1^iv	100.3 (2)
O2—Sr1—O1	47.73 (8)	C6—O7—Ni1	128.9 (3)
O13ⁱⁱⁱ—Sr1—O1	71.10 (8)	O2—C1—O1	120.9 (3)
O11—Sr1—O5ⁱⁱ	75.33 (8)	O2—C1—C2	117.9 (3)
O12—Sr1—O5ⁱⁱ	67.66 (8)	O1—C1—C2	121.2 (3)
O2ⁱ—Sr1—O5ⁱⁱ	94.87 (8)	O2—C1—Sr1	58.32 (19)
O6ⁱⁱ—Sr1—O5ⁱⁱ	47.39 (8)	O1—C1—Sr1	62.55 (19)
O13—Sr1—O5ⁱⁱ	123.45 (8)	C2—C1—Sr1	175.7 (3)
O2—Sr1—O5ⁱⁱ	149.50 (7)	C1—C2—C3	117.5 (4)
O13ⁱⁱⁱ—Sr1—O5ⁱⁱ	105.60 (8)	C1—C2—H2A	107.9
O1—Sr1—O5ⁱⁱ	138.92 (8)	C3—C2—H2A	107.9
O11—Sr1—C4ⁱⁱ	98.18 (9)	C1—C2—H2B	107.9
O12—Sr1—C4ⁱⁱ	79.28 (9)	C3—C2—H2B	107.9
O2ⁱ—Sr1—C4ⁱⁱ	95.17 (9)	H2A—C2—H2B	107.2
O6ⁱⁱ—Sr1—C4ⁱⁱ	23.50 (9)	O4—C3—O3	123.9 (4)
O13—Sr1—C4ⁱⁱ	100.31 (9)	O4—C3—C2	120.5 (3)
O2—Sr1—C4ⁱⁱ	161.43 (9)	O3—C3—C2	115.4 (4)
O13ⁱⁱⁱ—Sr1—C4ⁱⁱ	90.77 (9)	O6—C4—O5	121.6 (4)
O1—Sr1—C4ⁱⁱ	150.52 (9)	O6—C4—C5	115.8 (3)
O5ⁱⁱ—Sr1—C4ⁱⁱ	24.11 (9)	O5—C4—C5	122.6 (3)
O11—Sr1—C1	80.11 (9)	O6—C4—Sr1^iv	56.20 (19)
O12—Sr1—C1	94.85 (9)	O5—C4—Sr1^iv	66.3 (2)
O2ⁱ—Sr1—C1	89.63 (9)	C5—C4—Sr1^iv	167.6 (3)
O6ⁱⁱ—Sr1—C1	160.39 (9)	C4—C5—C6	123.6 (4)
O13—Sr1—C1	84.30 (9)	C4—C5—H5A	106.4
O2—Sr1—C1	23.50 (9)	C6—C5—H5A	106.4
O13ⁱⁱⁱ—Sr1—C1	87.70 (9)	C4—C5—H5B	106.4
O1—Sr1—C1	24.22 (8)	C6—C5—H5B	106.4
O5ⁱⁱ—Sr1—C1	152.04 (9)	H5A—C5—H5B	106.5
C4ⁱⁱ—Sr1—C1	174.11 (10)	O7—C6—O8	122.6 (4)
O11—Sr1—Sr1ⁱ	70.32 (6)	O7—C6—C5	121.5 (3)
O12—Sr1—Sr1ⁱ	140.14 (6)	O8—C6—C5	115.8 (4)
O2ⁱ—Sr1—Sr1ⁱ	33.70 (6)	Ni1—O9—H9A	113.6
O6ⁱⁱ—Sr1—Sr1ⁱ	121.22 (6)	Ni1—O9—H9B	132.4
O13—Sr1—Sr1ⁱ	71.83 (6)	H9A—O9—H9B	114.0
O2—Sr1—Sr1ⁱ	32.57 (5)	Ni1—O10—H10A	114.9
O13ⁱⁱⁱ—Sr1—Sr1ⁱ	126.73 (6)	Ni1—O10—H10B	110.0
O1—Sr1—Sr1ⁱ	80.14 (6)	H10A—O10—H10B	112.5
O5ⁱⁱ—Sr1—Sr1ⁱ	124.90 (5)	Sr1—O11—H11A	115.2
C4ⁱⁱ—Sr1—Sr1ⁱ	128.87 (7)	Sr1—O11—H11B	112.4
C1—Sr1—Sr1ⁱ	55.97 (7)	H11A—O11—H11B	113.4
O11—Sr1—H13B	125.9	Sr1—O12—H12A	117.7
O12—Sr1—H13B	145.7	Sr1—O12—H12B	115.7
O2ⁱ—Sr1—H13B	64.5	H12A—O12—H12B	112.9
O6ⁱⁱ—Sr1—H13B	92.1	Sr1—O13—Sr1ⁱⁱⁱ	113.46 (9)
O13—Sr1—H13B	17.5	Sr1—O13—H13A	118.0
O2—Sr1—H13B	59.0	Sr1ⁱⁱⁱ—O13—H13A	98.7
O13ⁱⁱⁱ—Sr1—H13B	77.4	Sr1—O13—H13B	95.3
O1—Sr1—H13B	84.4	Sr1ⁱⁱⁱ—O13—H13B	120.0
O5ⁱⁱ—Sr1—H13B	135.9	H13A—O13—H13B	112.8
C4ⁱⁱ—Sr1—H13B	114.9	H14A—O14—H14B	111.1
C1—Sr1—H13B	70.3	H15A—O15—H15B	115.6
Sr1ⁱ—Sr1—H13B	55.5

O4—Ni1—O1—C1	−22.3 (3)	O1—Ni1—O7—C6	162.7 (3)
O7—Ni1—O1—C1	158.6 (3)	O9—Ni1—O7—C6	75.0 (3)
O9—Ni1—O1—C1	−111.3 (3)	O10—Ni1—O7—C6	−107.9 (3)
O10—Ni1—O1—C1	68.7 (3)	Sr1ⁱ—O2—C1—O1	−168.7 (3)
O4—Ni1—O1—Sr1	151.6 (2)	Sr1—O2—C1—O1	−0.5 (4)
O7—Ni1—O1—Sr1	−27.5 (2)	Sr1ⁱ—O2—C1—C2	14.1 (6)
O9—Ni1—O1—Sr1	62.6 (2)	Sr1—O2—C1—C2	−177.7 (3)
O10—Ni1—O1—Sr1	−117.47 (19)	Sr1ⁱ—O2—C1—Sr1	−168.2 (5)
O11—Sr1—O1—C1	74.0 (2)	Ni1—O1—C1—O2	176.6 (2)
O12—Sr1—O1—C1	153.6 (2)	Sr1—O1—C1—O2	0.4 (4)
O2ⁱ—Sr1—O1—C1	6.4 (2)	Ni1—O1—C1—C2	−6.3 (5)
O6ⁱⁱ—Sr1—O1—C1	−136.8 (2)	Sr1—O1—C1—C2	177.6 (3)
O13—Sr1—O1—C1	−67.4 (2)	Ni1—O1—C1—Sr1	176.2 (3)
O2—Sr1—O1—C1	−0.23 (19)	O11—Sr1—C1—O2	77.3 (2)
O13ⁱⁱⁱ—Sr1—O1—C1	−131.1 (2)	O12—Sr1—C1—O2	155.2 (2)
O5ⁱⁱ—Sr1—O1—C1	136.6 (2)	O2ⁱ—Sr1—C1—O2	6.3 (2)
C4ⁱⁱ—Sr1—O1—C1	174.1 (2)	O6ⁱⁱ—Sr1—C1—O2	−83.7 (3)
Sr1ⁱ—Sr1—O1—C1	3.4 (2)	O13—Sr1—C1—O2	−67.4 (2)
O11—Sr1—O1—Ni1	−100.9 (2)	O13ⁱⁱⁱ—Sr1—C1—O2	−134.1 (2)
O12—Sr1—O1—Ni1	−21.35 (18)	O1—Sr1—C1—O2	−179.6 (4)
O2ⁱ—Sr1—O1—Ni1	−168.55 (17)	O5ⁱⁱ—Sr1—C1—O2	106.0 (3)
O6ⁱⁱ—Sr1—O1—Ni1	48.3 (3)	Sr1ⁱ—Sr1—C1—O2	4.47 (18)
O13—Sr1—O1—Ni1	117.59 (19)	O11—Sr1—C1—O1	−103.1 (2)
O2—Sr1—O1—Ni1	−175.2 (2)	O12—Sr1—C1—O1	−25.2 (2)
O13ⁱⁱⁱ—Sr1—O1—Ni1	53.91 (18)	O2ⁱ—Sr1—C1—O1	−174.1 (2)
O5ⁱⁱ—Sr1—O1—Ni1	−38.4 (2)	O6ⁱⁱ—Sr1—C1—O1	95.9 (3)
C4ⁱⁱ—Sr1—O1—Ni1	−0.9 (3)	O13—Sr1—C1—O1	112.1 (2)
C1—Sr1—O1—Ni1	−175.0 (4)	O2—Sr1—C1—O1	179.6 (4)
Sr1ⁱ—Sr1—O1—Ni1	−171.6 (2)	O13ⁱⁱⁱ—Sr1—C1—O1	45.5 (2)
O11—Sr1—O2—C1	−97.7 (2)	O5ⁱⁱ—Sr1—C1—O1	−74.4 (3)
O12—Sr1—O2—C1	−27.7 (2)	Sr1ⁱ—Sr1—C1—O1	−176.0 (2)
O2ⁱ—Sr1—O2—C1	−173.1 (3)	O2—C1—C2—C3	−139.2 (4)
O6ⁱⁱ—Sr1—O2—C1	140.8 (2)	O1—C1—C2—C3	43.6 (5)
O13—Sr1—O2—C1	108.7 (2)	Ni1—O4—C3—O3	176.4 (4)
O13ⁱⁱⁱ—Sr1—O2—C1	47.7 (2)	Ni1—O4—C3—C2	1.4 (6)
O1—Sr1—O2—C1	0.2 (2)	C1—C2—C3—O4	−41.0 (5)
O5ⁱⁱ—Sr1—O2—C1	−117.4 (2)	C1—C2—C3—O3	143.6 (4)
C4ⁱⁱ—Sr1—O2—C1	−171.0 (3)	Sr1^iv—O6—C4—O5	11.5 (4)
Sr1ⁱ—Sr1—O2—C1	−173.1 (3)	Sr1^iv—O6—C4—C5	−169.0 (3)
O11—Sr1—O2—Sr1ⁱ	75.43 (11)	Ni1—O5—C4—O6	165.8 (3)
O12—Sr1—O2—Sr1ⁱ	145.39 (9)	Sr1^iv—O5—C4—O6	−10.5 (4)
O2ⁱ—Sr1—O2—Sr1ⁱ	0.0	Ni1—O5—C4—C5	−13.6 (5)
O6ⁱⁱ—Sr1—O2—Sr1ⁱ	−46.06 (17)	Sr1^iv—O5—C4—C5	170.2 (4)
O13—Sr1—O2—Sr1ⁱ	−78.20 (11)	Ni1—O5—C4—Sr1^iv	176.2 (3)
O13ⁱⁱⁱ—Sr1—O2—Sr1ⁱ	−139.18 (9)	O6—C4—C5—C6	166.9 (4)
O1—Sr1—O2—Sr1ⁱ	173.35 (16)	O5—C4—C5—C6	−13.7 (7)
O5ⁱⁱ—Sr1—O2—Sr1ⁱ	55.7 (2)	Sr1^iv—C4—C5—C6	119.5 (12)
C4ⁱⁱ—Sr1—O2—Sr1ⁱ	2.1 (3)	Ni1—O7—C6—O8	−179.3 (3)
C1—Sr1—O2—Sr1ⁱ	173.1 (3)	Ni1—O7—C6—C5	−3.2 (6)
O5—Ni1—O4—C3	−156.7 (3)	C4—C5—C6—O7	22.8 (7)
O1—Ni1—O4—C3	25.2 (3)	C4—C5—C6—O8	−160.8 (4)
O9—Ni1—O4—C3	112.8 (3)	O11—Sr1—O13—Sr1ⁱⁱⁱ	−156.16 (10)
O10—Ni1—O4—C3	−64.2 (3)	O12—Sr1—O13—Sr1ⁱⁱⁱ	0.99 (17)
O4—Ni1—O5—C4	−155.1 (3)	O2ⁱ—Sr1—O13—Sr1ⁱⁱⁱ	178.76 (12)
O7—Ni1—O5—C4	23.9 (3)	O6ⁱⁱ—Sr1—O13—Sr1ⁱⁱⁱ	84.49 (10)
O9—Ni1—O5—C4	−66.1 (3)	O2—Sr1—O13—Sr1ⁱⁱⁱ	−112.28 (11)
O10—Ni1—O5—C4	113.9 (3)	O13ⁱⁱⁱ—Sr1—O13—Sr1ⁱⁱⁱ	0.0
O4—Ni1—O5—Sr1^iv	18.5 (2)	O1—Sr1—O13—Sr1ⁱⁱⁱ	−67.58 (10)
O7—Ni1—O5—Sr1^iv	−162.5 (2)	O5ⁱⁱ—Sr1—O13—Sr1ⁱⁱⁱ	93.71 (11)
O9—Ni1—O5—Sr1^iv	107.5 (2)	C4ⁱⁱ—Sr1—O13—Sr1ⁱⁱⁱ	86.33 (11)
O10—Ni1—O5—Sr1^iv	−72.5 (2)	C1—Sr1—O13—Sr1ⁱⁱⁱ	−89.97 (11)
O5—Ni1—O7—C6	−15.4 (3)	Sr1ⁱ—Sr1—O13—Sr1ⁱⁱⁱ	−145.97 (10)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O15—H15A···O14^v	0.84	2.26	2.997 (5)	148
O15—H15A···O14	0.84	2.33	2.867 (5)	123
O15—H15B···O3^vi	0.85	2.29	2.881 (7)	127
O14—H14B···O8^vii	0.86	2.21	3.072 (5)	176
O14—H14A···O10ⁱⁱ	0.86	2.14	2.936 (4)	152
O13—H13B···O11ⁱ	0.85	1.93	2.728 (4)	155
O13—H13A···O7ⁱⁱⁱ	0.85	2.01	2.836 (4)	163
O12—H12B···O7	0.85	2.42	3.080 (4)	135
O12—H12B···O9	0.85	2.36	3.094 (5)	144
O12—H12A···O3^viii	0.85	1.94	2.772 (4)	166
O11—H11B···O8^vii	0.85	1.83	2.681 (4)	176
O11—H11A···O4ⁱⁱ	0.85	1.89	2.727 (4)	172
O10—H10B···O6^ix	0.85	1.91	2.728 (4)	162
O10—H10A···O3^x	0.85	1.86	2.714 (4)	178
O9—H9B···O15	0.85	1.84	2.663 (5)	162
O9—H9A···O8^vii	0.84	1.81	2.652 (4)	173

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, −y+1/2, z+1/2; (iii) −x+2, −y+1, −z+1; (v) −x+1, −y, −z+1; (vi) −x+1, y−1/2, −z+1/2; (vii) x−1, y, z; (viii) x+1, −y+1/2, z+1/2; (ix) −x+2, y+1/2, −z+1/2; (x) x+1, y, z.

Experimental details

Crystal data
Chemical formula	[NiSr(C₃H₂O₄)₂(H₂O)₅]·2H₂O
M_r	476.53
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	294
a, b, c (Å)	6.7745 (14), 14.220 (3), 15.629 (3)
β (°)	101.10 (3)
V (Å³)	1477.4 (5)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	4.97
Crystal size (mm)	0.12 × 0.06 × 0.04

Data collection
Diffractometer	Rigaku Saturn CCD area-detector
Absorption correction	Multi-scan (CrystalClear; Rigaku/MSC, 2005)
T_min, T_max	0.548, 0.712
No. of measured, independent and observed [I > 2σ(I)] reflections	9983, 2609, 2235
R_int	0.045
(sin θ/λ)_max (Å⁻¹)	0.595

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.035, 0.098, 1.05
No. of reflections	2609
No. of parameters	208
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.78, −0.59

Computer programs: CrystalClear (Rigaku/MSC, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top

Sr1—O11	2.556 (2)	Sr1—O5ⁱⁱ	2.816 (3)
Sr1—O12	2.574 (3)	Ni1—O4	2.020 (3)
Sr1—O2ⁱ	2.581 (3)	Ni1—O7	2.024 (3)
Sr1—O6ⁱⁱ	2.598 (3)	Ni1—O5	2.026 (2)
Sr1—O13	2.618 (3)	Ni1—O1	2.032 (3)
Sr1—O2	2.660 (3)	Ni1—O9	2.038 (3)
Sr1—O13ⁱⁱⁱ	2.688 (2)	Ni1—O10	2.064 (3)
Sr1—O1	2.751 (3)

O4—C3—O3	123.9 (4)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O15—H15A···O14^iv	0.84	2.26	2.997 (5)	148
O15—H15A···O14	0.84	2.33	2.867 (5)	123
O15—H15B···O3^v	0.85	2.29	2.881 (7)	127
O14—H14B···O8^vi	0.86	2.21	3.072 (5)	176
O14—H14A···O10ⁱⁱ	0.86	2.14	2.936 (4)	152
O13—H13B···O11ⁱ	0.85	1.93	2.728 (4)	155
O13—H13A···O7ⁱⁱⁱ	0.85	2.01	2.836 (4)	163
O12—H12B···O7	0.85	2.42	3.080 (4)	135
O12—H12B···O9	0.85	2.36	3.094 (5)	144
O12—H12A···O3^vii	0.85	1.94	2.772 (4)	166
O11—H11B···O8^vi	0.85	1.83	2.681 (4)	176
O11—H11A···O4ⁱⁱ	0.85	1.89	2.727 (4)	172
O10—H10B···O6^viii	0.85	1.91	2.728 (4)	162
O10—H10A···O3^ix	0.85	1.86	2.714 (4)	178
O9—H9B···O15	0.85	1.84	2.663 (5)	162
O9—H9A···O8^vi	0.84	1.81	2.652 (4)	173

Symmetry codes: (i) −x+1, −y+1, −z+1; (ii) x, −y+1/2, z+1/2; (iii) −x+2, −y+1, −z+1; (iv) −x+1, −y, −z+1; (v) −x+1, y−1/2, −z+1/2; (vi) x−1, y, z; (vii) x+1, −y+1/2, z+1/2; (viii) −x+2, y+1/2, −z+1/2; (ix) x+1, y, z.

Acknowledgements

We thank Tianjin Polytechnic University for financial support.

References

Bernstein, J., Davvis, R. E., Shimoni, L. & Chang, N.-L. (1995). Angew. Chem. Int. Ed. Engl. 34, 1555–1573. CrossRef CAS Web of Science Google Scholar
Gil de Muro, I., Insausti, M., Lezama, L., Pizarro, J. L., Arriortua, M. I. & Rojo, T. (1999). Eur. J. Inorg. Chem. pp. 935–943. CrossRef Google Scholar
Gil de Muro, I., Insausti, M., Lezama, L., Urtiaga, M. K., Arriortua, M. I. & Rojo, T. (2000). J. Chem. Soc. Dalton Trans. pp. 3360–3364. Web of Science CrossRef Google Scholar
Infantes, L. & Motherwell, S. (2002). CrystEngComm, 4, 454–461. Web of Science CSD CrossRef CAS Google Scholar
Rigaku/MSC (2005). CrystalClear. Rigaku/MSC, The Woodlands, Texas, USA. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar