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Acta Cryst. (2009). E65, m629    [ doi:10.1107/S1600536809016882 ]

Poly[[[mu]4-tartrato-cadmium(II)] 0.167-hydrate]

L.-Z. Zhao, P. Li, B.-L. Cao and S. W. Ng

Abstract top

The title compound, {[Cd(C4H4O6)]·0.167H2O}n, adopts a three-dimensional network structure in which each CdII ion is chelated by two pairs of carboxylate and hydroxyl O atoms from two tartrate anions, and is additionally linked to two O atoms of two carboxylate groups that are not involved in chelation. The asymmetric unit has four independent cadmium atoms, two of which lie on special positions of 2 site symmetry. The tartrate anions all lie on general positions. All hydroxyl groups are engaged in O-H...O hydrogen-bonds, one of which is also bifurcated. The non-coordinating water molecule is situated on a site with half-occupation.

Related literature top

For the structure of cadmium tartrate trihydrate, see: González-Silgo et al. (1999).

Experimental top

Cadmium chloride 2.5 hydrate (0.23 g), R,R-tartaric acid (0.48 g), sodium hydroxide (0.39 g), imidazole (0.12 g) and water (0.4 ml) were sealed in a 25-ml Teflon-lined stainless-steel vessel. This was heated at 393 K for 3 d. The colourless crystals found in the cooled vessel were picked out manually.

Refinement top

C-bound H-atoms were placed in calculated positions (C-H = 0.98 Å) and were included in the refinement in the riding model approximation, with U(H) fixed at 1.2U(C). The hydroxy H-atoms were generated geometrically by assuming an sp3 type of hybridization (O-H = 0.82 Å); these were included in the refinement. At this stage, the difference Fourier map had a peak at about 1.5 Å from hydroxyl H9 atom and it was refined as a water molecule of half-site occupancy as the peak was 2.5 Å from the symmetry-related atom. The two water H atoms were placed in chemically sensible positions; only one of these H atom forms a hydrogen bond to an acceptor oxygen atom. The final difference Fourier map had a peak at 2 Å from O1W and hole at 1.2 Å from Cd1.

Computing details top

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).

Figures top
[Figure 1] Fig. 1. Displacement ellipsoid plot (Barbour, 2001) of a portion of polymeric cadmium tartrate 1/6 hydrate at the 70% probability level; H atoms are drawn as spheres of arbitrary radius. The disordered water molecule is not shown.
Poly[[µ4-tartrato-cadmium(II)] 0.167-hydrate] top
Crystal data top
[Cd(C4H4O6)]·0.167H2OF000 = 3016
Mr = 263.47Dx = 2.841 Mg m−3
Orthorhombic, C2221Mo Kα radiation
λ = 0.71073 Å
Hall symbol: C 2c 2Cell parameters from 4135 reflections
a = 10.7901 (4) Åθ = 2.3–27.2º
b = 11.1995 (5) ŵ = 3.53 mm−1
c = 30.588 (1) ÅT = 293 K
V = 3696.3 (3) Å3Block, colourless
Z = 240.37 × 0.22 × 0.15 mm
Data collection top
Bruker APEXII area-detector difractometer
diffractometer		4095 independent reflections
Radiation source: fine-focus sealed tube4073 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.018
T = 293 Kθmax = 27.5º
φ and ω scansθmin = 2.7º
Absorption correction: multi-scan
(SADABS, Sheldrick, 1996)		h = −13→12
Tmin = 0.505, Tmax = 0.780k = −14→14
13041 measured reflectionsl = −38→39
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.022  w = 1/[σ2(Fo2) + (0.0411P)2 + 9.1485P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.060(Δ/σ)max = 0.001
S = 1.02Δρmax = 1.34 e Å−3
4095 reflectionsΔρmin = −1.18 e Å−3
308 parametersExtinction correction: none
6 restraintsAbsolute structure: Flack (1983), 1733 Friedel pairs
Primary atom site location: structure-invariant direct methodsFlack parameter: −0.02 (2)
Secondary atom site location: difference Fourier map
Crystal data top
[Cd(C4H4O6)]·0.167H2OV = 3696.3 (3) Å3
Mr = 263.47Z = 24
Orthorhombic, C2221Mo Kα
a = 10.7901 (4) ŵ = 3.53 mm−1
b = 11.1995 (5) ÅT = 293 K
c = 30.588 (1) Å0.37 × 0.22 × 0.15 mm
Data collection top
Bruker APEXII area-detector difractometer
diffractometer		4095 independent reflections
Absorption correction: multi-scan
(SADABS, Sheldrick, 1996)		4073 reflections with I > 2σ(I)
Tmin = 0.505, Tmax = 0.780Rint = 0.018
13041 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.022H-atom parameters constrained
wR(F2) = 0.060Δρmax = 1.34 e Å−3
S = 1.02Δρmin = −1.18 e Å−3
4095 reflectionsAbsolute structure: Flack (1983), 1733 Friedel pairs
308 parametersFlack parameter: −0.02 (2)
6 restraints
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Cd11.00000.70141 (4)0.75000.01735 (8)
Cd20.95531 (3)0.81768 (3)0.578406 (9)0.02161 (7)
Cd30.41091 (3)0.79800 (2)0.601933 (8)0.01865 (7)
Cd40.00000.19902 (4)0.75000.03003 (11)
O11.0079 (3)0.7619 (3)0.67881 (10)0.0233 (6)
O21.1079 (3)0.8548 (3)0.62512 (10)0.0302 (7)
O31.1495 (3)0.8566 (3)0.74078 (9)0.0208 (6)
H31.21300.83670.75360.031*
O41.0508 (4)1.0602 (3)0.69188 (15)0.0482 (11)
H41.03371.09160.66840.072*
O51.3661 (3)1.0768 (3)0.72008 (12)0.0317 (7)
O61.1993 (3)1.1322 (3)0.75792 (11)0.0293 (7)
O70.9280 (3)0.6190 (3)0.58705 (11)0.0295 (7)
O80.8178 (3)0.4562 (3)0.57088 (11)0.0253 (6)
O90.7827 (3)0.7584 (3)0.53809 (12)0.0310 (7)
H90.79440.77710.51250.047*
O100.6037 (3)0.6797 (2)0.59740 (9)0.0195 (5)
H100.66300.72350.60230.029*
O110.4479 (3)0.7476 (3)0.53234 (10)0.0320 (7)
O120.5479 (4)0.6380 (4)0.48342 (11)0.0463 (10)
O130.2972 (3)0.6471 (3)0.62762 (11)0.0276 (7)
O140.3822 (3)0.5056 (3)0.58715 (11)0.0327 (8)
O150.2955 (3)0.3293 (3)0.63798 (9)0.0199 (5)
H150.32050.29180.65920.030*
O160.0760 (3)0.4462 (2)0.61037 (9)0.0213 (6)
H160.04930.51090.60210.032*
O17−0.0251 (2)0.3105 (3)0.67293 (9)0.0217 (5)
O180.1216 (3)0.3518 (3)0.72046 (10)0.0273 (7)
O1W0.6901 (17)0.9073 (17)0.4779 (6)0.145 (7)0.50
H1W10.73560.91330.45650.218*0.50
H1W20.68780.97110.49100.218*0.50
C11.0921 (4)0.8279 (3)0.66460 (12)0.0178 (7)
C21.1821 (3)0.8874 (3)0.69695 (12)0.0160 (7)
H2C1.26660.85990.69090.019*
C31.1755 (4)1.0224 (4)0.69036 (15)0.0257 (9)
H3C1.21031.04230.66170.031*
C41.2533 (4)1.0834 (3)0.72602 (13)0.0220 (8)
C50.8399 (4)0.5650 (4)0.56782 (13)0.0168 (7)
C60.7517 (4)0.6364 (3)0.53935 (12)0.0174 (7)
H6C0.75580.60470.50950.021*
C70.6197 (3)0.6243 (3)0.55551 (12)0.0160 (7)
H7C0.60160.53900.55880.019*
C80.5297 (4)0.6755 (4)0.52122 (13)0.0234 (8)
C90.3210 (4)0.5408 (4)0.61868 (13)0.0191 (8)
C100.2672 (3)0.4479 (3)0.65126 (12)0.0155 (7)
H10C0.30200.46220.68040.019*
C110.1258 (4)0.4612 (3)0.65322 (13)0.0168 (7)
H11C0.10540.54150.66380.020*
C120.0704 (4)0.3690 (3)0.68453 (12)0.0175 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.01892 (17)0.01774 (17)0.01540 (16)0.000−0.00203 (12)0.000
Cd20.02609 (15)0.01939 (14)0.01935 (13)−0.00727 (12)0.00123 (10)−0.00092 (10)
Cd30.02465 (14)0.01520 (12)0.01611 (12)−0.00012 (11)−0.00171 (9)0.00103 (11)
Cd40.0214 (2)0.0270 (2)0.0417 (2)0.0000.00595 (16)0.000
O10.0222 (14)0.0262 (14)0.0216 (13)−0.0078 (12)−0.0076 (11)0.0021 (11)
O20.0414 (19)0.0331 (17)0.0163 (13)−0.0116 (15)−0.0006 (12)−0.0019 (12)
O30.0218 (14)0.0251 (14)0.0156 (13)−0.0048 (11)−0.0076 (10)0.0027 (11)
O40.043 (2)0.0263 (16)0.075 (3)0.0144 (16)−0.039 (2)−0.0157 (17)
O50.0260 (16)0.0282 (16)0.0409 (19)−0.0114 (13)0.0012 (14)−0.0064 (15)
O60.0278 (16)0.0292 (15)0.0308 (17)−0.0002 (13)−0.0033 (12)−0.0115 (13)
O70.0274 (17)0.0166 (12)0.0447 (19)0.0003 (12)−0.0195 (14)−0.0032 (13)
O80.0229 (14)0.0149 (13)0.0383 (18)0.0001 (12)−0.0082 (12)0.0011 (12)
O90.0288 (18)0.0210 (14)0.0432 (19)−0.0068 (12)−0.0084 (14)0.0166 (13)
O100.0226 (13)0.0196 (12)0.0162 (11)0.0005 (11)−0.0020 (10)−0.0045 (11)
O110.0330 (17)0.0416 (18)0.0213 (14)0.0254 (15)−0.0083 (13)−0.0069 (13)
O120.047 (2)0.069 (3)0.0224 (15)0.038 (2)−0.0175 (15)−0.0207 (16)
O130.0279 (16)0.0182 (14)0.0366 (17)−0.0058 (12)0.0073 (13)0.0002 (13)
O140.042 (2)0.0219 (14)0.0345 (17)−0.0030 (14)0.0219 (15)0.0005 (13)
O150.0222 (14)0.0177 (13)0.0200 (13)0.0019 (11)−0.0014 (10)0.0040 (11)
O160.0235 (15)0.0197 (13)0.0206 (13)−0.0014 (11)−0.0066 (11)0.0055 (10)
O170.0200 (14)0.0240 (14)0.0211 (12)−0.0063 (12)0.0015 (10)0.0025 (12)
O180.0236 (16)0.0360 (17)0.0223 (14)−0.0060 (13)−0.0009 (11)0.0037 (13)
O1W0.130 (10)0.170 (10)0.136 (10)−0.007 (8)0.010 (8)0.065 (8)
C10.0201 (17)0.0161 (16)0.0172 (16)−0.0026 (15)−0.0031 (13)−0.0002 (14)
C20.0157 (16)0.0166 (17)0.0156 (17)−0.0012 (14)0.0003 (13)−0.0013 (14)
C30.036 (2)0.0153 (18)0.026 (2)−0.0032 (16)−0.0151 (17)0.0011 (16)
C40.028 (2)0.0134 (16)0.0244 (19)−0.0045 (16)−0.0079 (16)0.0042 (15)
C50.0158 (18)0.0179 (17)0.0167 (17)0.0023 (14)−0.0004 (12)−0.0023 (14)
C60.0195 (18)0.0172 (17)0.0156 (16)0.0016 (15)−0.0008 (13)0.0016 (13)
C70.0149 (18)0.0166 (16)0.0165 (17)0.0009 (14)−0.0041 (13)−0.0034 (14)
C80.023 (2)0.027 (2)0.0199 (17)0.0100 (17)−0.0087 (14)−0.0056 (16)
C90.0132 (17)0.0214 (19)0.0228 (19)−0.0043 (15)−0.0052 (14)−0.0020 (16)
C100.0140 (17)0.0171 (16)0.0154 (16)−0.0027 (14)−0.0022 (13)0.0002 (13)
C110.0162 (18)0.0117 (15)0.0224 (19)−0.0016 (14)−0.0006 (13)−0.0008 (14)
C120.0182 (19)0.0187 (16)0.0157 (16)−0.0001 (14)0.0046 (13)−0.0041 (14)
Geometric parameters (Å, °) top
Cd1—O5i2.207 (3)O8—Cd3xi2.247 (3)
Cd1—O5ii2.207 (3)O9—C61.408 (5)
Cd1—O12.282 (3)O9—H90.82
Cd1—O1iii2.282 (3)O10—C71.434 (4)
Cd1—O32.388 (3)O10—H100.82
Cd1—O3iii2.388 (3)O11—C81.245 (5)
Cd2—O12iv2.196 (3)O12—C81.245 (5)
Cd2—O22.220 (3)O12—Cd2xii2.196 (3)
Cd2—O72.260 (3)O13—C91.248 (5)
Cd2—O14v2.264 (3)O14—C91.233 (5)
Cd2—O92.330 (3)O14—Cd2i2.264 (3)
Cd2—O15v2.512 (3)O15—C101.422 (5)
Cd3—O132.232 (3)O15—Cd2i2.512 (3)
Cd3—O112.238 (3)O15—H150.82
Cd3—O8vi2.247 (3)O16—C111.426 (4)
Cd3—O17v2.283 (3)O16—Cd3i2.449 (3)
Cd3—O16v2.449 (3)O16—H160.82
Cd3—O102.470 (3)O17—C121.272 (5)
Cd4—O6vii2.290 (3)O17—Cd3i2.283 (3)
Cd4—O6viii2.290 (3)O18—C121.245 (5)
Cd4—O182.338 (3)O1W—H1W10.82
Cd4—O18ix2.338 (3)O1W—H1W20.82
Cd4—O4viii2.424 (4)C1—C21.538 (5)
Cd4—O4vii2.424 (4)C2—C31.526 (5)
O1—C11.250 (5)C2—H2C0.98
O2—C11.257 (5)C3—C41.536 (5)
O3—C21.428 (5)C3—H3C0.98
O3—H30.82C5—C61.518 (5)
O4—C31.412 (6)C6—C71.514 (5)
O4—Cd4x2.424 (4)C6—H6C0.98
O4—H40.82C7—C81.540 (5)
O5—C41.233 (6)C7—H7C0.98
O5—Cd1v2.207 (3)C9—C101.554 (5)
O6—C41.261 (5)C10—C111.534 (5)
O6—Cd4x2.290 (3)C10—H10C0.98
O7—C51.271 (5)C11—C121.530 (5)
O8—C51.246 (5)C11—H11C0.98
O5i—Cd1—O5ii101.55 (19)C6—O9—H9108.1
O5i—Cd1—O179.43 (12)Cd2—O9—H9108.1
O5ii—Cd1—O1123.99 (12)C7—O10—Cd3112.6 (2)
O5i—Cd1—O1iii123.99 (12)C7—O10—H10109.1
O5ii—Cd1—O1iii79.43 (12)Cd3—O10—H10109.1
O1—Cd1—O1iii145.46 (15)C8—O11—Cd3123.4 (3)
O5i—Cd1—O3148.58 (11)C8—O12—Cd2xii130.7 (3)
O5ii—Cd1—O393.84 (12)C9—O13—Cd3122.1 (3)
O1—Cd1—O369.28 (10)C9—O14—Cd2i125.2 (3)
O1iii—Cd1—O385.51 (10)C10—O15—Cd2i113.8 (2)
O5i—Cd1—O3iii93.84 (12)C10—O15—H15108.8
O5ii—Cd1—O3iii148.58 (11)Cd2i—O15—H15108.8
O1—Cd1—O3iii85.51 (10)C11—O16—Cd3i116.8 (2)
O1iii—Cd1—O3iii69.28 (9)C11—O16—H16108.1
O3—Cd1—O3iii86.61 (15)Cd3i—O16—H16108.1
O12iv—Cd2—O2100.04 (13)C12—O17—Cd3i122.8 (2)
O12iv—Cd2—O7112.50 (14)C12—O18—Cd4101.8 (3)
O2—Cd2—O7101.90 (11)H1W1—O1W—H1W2109.7
O12iv—Cd2—O14v92.86 (14)O1—C1—O2125.1 (4)
O2—Cd2—O14v90.47 (13)O1—C1—C2119.5 (3)
O7—Cd2—O14v148.89 (13)O2—C1—C2115.4 (3)
O12iv—Cd2—O988.41 (13)O3—C2—C3110.6 (3)
O2—Cd2—O9170.78 (11)O3—C2—C1110.1 (3)
O7—Cd2—O971.16 (10)C3—C2—C1108.3 (3)
O14v—Cd2—O992.81 (13)O3—C2—H2C109.3
O12iv—Cd2—O15v157.71 (14)C3—C2—H2C109.3
O2—Cd2—O15v91.88 (10)C1—C2—H2C109.3
O7—Cd2—O15v82.91 (12)O4—C3—C2109.7 (4)
O14v—Cd2—O15v68.10 (10)O4—C3—C4111.3 (4)
O9—Cd2—O15v81.37 (11)C2—C3—C4108.8 (3)
O13—Cd3—O11104.01 (13)O4—C3—H3C109.0
O13—Cd3—O8vi119.99 (12)C2—C3—H3C109.0
O11—Cd3—O8vi82.89 (12)C4—C3—H3C109.0
O13—Cd3—O17v82.97 (11)O5—C4—O6126.6 (4)
O11—Cd3—O17v150.04 (10)O5—C4—C3114.1 (4)
O8vi—Cd3—O17v119.27 (11)O6—C4—C3119.4 (4)
O13—Cd3—O16v151.21 (11)O8—C5—O7125.0 (4)
O11—Cd3—O16v98.13 (12)O8—C5—C6116.0 (3)
O8vi—Cd3—O16v80.54 (10)O7—C5—C6119.0 (4)
O17v—Cd3—O16v68.79 (10)O9—C6—C7108.6 (3)
O13—Cd3—O1094.40 (11)O9—C6—C5112.2 (3)
O11—Cd3—O1070.20 (10)C7—C6—C5110.8 (3)
O8vi—Cd3—O10140.87 (11)O9—C6—H6C108.4
O17v—Cd3—O1080.31 (9)C7—C6—H6C108.4
O16v—Cd3—O1075.93 (9)C5—C6—H6C108.4
O6vii—Cd4—O6viii141.86 (17)O10—C7—C6111.5 (3)
O6vii—Cd4—O18136.50 (11)O10—C7—C8111.8 (3)
O6viii—Cd4—O1875.69 (12)C6—C7—C8109.7 (3)
O6vii—Cd4—O18ix75.69 (12)O10—C7—H7C107.9
O6viii—Cd4—O18ix136.50 (11)C6—C7—H7C107.9
O18—Cd4—O18ix85.92 (17)C8—C7—H7C107.9
O6vii—Cd4—O4viii85.73 (13)O11—C8—O12125.8 (4)
O6viii—Cd4—O4viii69.85 (11)O11—C8—C7120.2 (3)
O18—Cd4—O4viii93.37 (14)O12—C8—C7114.1 (4)
O18ix—Cd4—O4viii151.60 (11)O14—C9—O13125.9 (4)
O6vii—Cd4—O4vii69.85 (11)O14—C9—C10119.2 (4)
O6viii—Cd4—O4vii85.73 (13)O13—C9—C10114.9 (4)
O18—Cd4—O4vii151.60 (11)O15—C10—C11108.4 (3)
O18ix—Cd4—O4vii93.37 (14)O15—C10—C9111.2 (3)
O4viii—Cd4—O4vii100.2 (2)C11—C10—C9109.4 (3)
C1—O1—Cd1122.3 (2)O15—C10—H10C109.3
C1—O2—Cd2118.2 (3)C11—C10—H10C109.3
C2—O3—Cd1116.9 (2)C9—C10—H10C109.3
C2—O3—H3108.1O16—C11—C12110.4 (3)
Cd1—O3—H3108.1O16—C11—C10109.1 (3)
C3—O4—Cd4x115.6 (3)C12—C11—C10110.3 (3)
C3—O4—H4108.4O16—C11—H11C109.0
Cd4x—O4—H4108.4C12—C11—H11C109.0
C4—O5—Cd1v123.2 (3)C10—C11—H11C109.0
C4—O6—Cd4x119.6 (3)O18—C12—O17121.7 (4)
C5—O7—Cd2120.8 (3)O18—C12—C11118.9 (3)
C5—O8—Cd3xi135.9 (3)O17—C12—C11119.3 (3)
C6—O9—Cd2116.9 (2)
O5i—Cd1—O1—C1−165.4 (3)C1—C2—C3—C4173.4 (3)
O5ii—Cd1—O1—C1−68.6 (3)Cd1v—O5—C4—O6−23.0 (6)
O1iii—Cd1—O1—C157.5 (3)Cd1v—O5—C4—C3158.2 (3)
O3—Cd1—O1—C111.7 (3)Cd4x—O6—C4—O5155.8 (3)
O3iii—Cd1—O1—C199.8 (3)Cd4x—O6—C4—C3−25.5 (5)
O12iv—Cd2—O2—C1−173.2 (3)O4—C3—C4—O5−163.6 (4)
O7—Cd2—O2—C1−57.5 (3)C2—C3—C4—O575.5 (5)
O14v—Cd2—O2—C193.8 (3)O4—C3—C4—O617.6 (5)
O15v—Cd2—O2—C125.7 (3)C2—C3—C4—O6−103.4 (4)
O5i—Cd1—O3—C2−6.4 (4)Cd3xi—O8—C5—O7−6.2 (7)
O5ii—Cd1—O3—C2113.2 (3)Cd3xi—O8—C5—C6175.0 (3)
O1—Cd1—O3—C2−11.8 (2)Cd2—O7—C5—O8−179.7 (3)
O1iii—Cd1—O3—C2−167.7 (3)Cd2—O7—C5—C6−0.9 (5)
O3iii—Cd1—O3—C2−98.3 (3)Cd2—O9—C6—C7123.0 (3)
O12iv—Cd2—O7—C5−79.3 (4)Cd2—O9—C6—C50.1 (4)
O2—Cd2—O7—C5174.4 (3)O8—C5—C6—O9179.4 (4)
O14v—Cd2—O7—C563.0 (4)O7—C5—C6—O90.5 (5)
O9—Cd2—O7—C50.7 (3)O8—C5—C6—C757.8 (5)
O15v—Cd2—O7—C583.9 (3)O7—C5—C6—C7−121.1 (4)
O12iv—Cd2—O9—C6114.1 (3)Cd3—O10—C7—C6136.4 (2)
O7—Cd2—O9—C6−0.4 (3)Cd3—O10—C7—C813.1 (4)
O14v—Cd2—O9—C6−153.1 (3)O9—C6—C7—O10−56.7 (4)
O15v—Cd2—O9—C6−85.8 (3)C5—C6—C7—O1067.0 (4)
O13—Cd3—O10—C791.5 (2)O9—C6—C7—C867.8 (4)
O11—Cd3—O10—C7−11.8 (2)C5—C6—C7—C8−168.5 (3)
O8vi—Cd3—O10—C7−61.3 (3)Cd3—O11—C8—O12174.4 (4)
O17v—Cd3—O10—C7173.6 (2)Cd3—O11—C8—C7−5.6 (6)
O16v—Cd3—O10—C7−116.0 (2)Cd2xii—O12—C8—O112.3 (9)
O13—Cd3—O11—C8−80.2 (4)Cd2xii—O12—C8—C7−177.7 (3)
O8vi—Cd3—O11—C8160.6 (4)O10—C7—C8—O11−6.3 (6)
O17v—Cd3—O11—C820.2 (5)C6—C7—C8—O11−130.6 (4)
O16v—Cd3—O11—C881.3 (4)O10—C7—C8—O12173.7 (4)
O10—Cd3—O11—C89.5 (4)C6—C7—C8—O1249.5 (5)
O11—Cd3—O13—C941.6 (4)Cd2i—O14—C9—O13167.6 (3)
O8vi—Cd3—O13—C9131.4 (3)Cd2i—O14—C9—C10−12.1 (5)
O17v—Cd3—O13—C9−108.7 (3)Cd3—O13—C9—O14−21.2 (6)
O16v—Cd3—O13—C9−97.5 (4)Cd3—O13—C9—C10158.5 (2)
O10—Cd3—O13—C9−29.0 (3)Cd2i—O15—C10—C11132.7 (2)
O6vii—Cd4—O18—C12−25.4 (3)Cd2i—O15—C10—C912.4 (3)
O6viii—Cd4—O18—C12130.2 (3)O14—C9—C10—O15−1.9 (5)
O18ix—Cd4—O18—C12−89.6 (3)O13—C9—C10—O15178.3 (3)
O4viii—Cd4—O18—C1261.9 (3)O14—C9—C10—C11−121.7 (4)
O4vii—Cd4—O18—C12−179.1 (3)O13—C9—C10—C1158.6 (4)
Cd1—O1—C1—O2172.9 (3)Cd3i—O16—C11—C125.5 (4)
Cd1—O1—C1—C2−10.0 (5)Cd3i—O16—C11—C10126.9 (3)
Cd2—O2—C1—O114.3 (6)O15—C10—C11—O16−63.9 (4)
Cd2—O2—C1—C2−162.9 (2)C9—C10—C11—O1657.6 (4)
Cd1—O3—C2—C3130.8 (3)O15—C10—C11—C1257.6 (4)
Cd1—O3—C2—C111.1 (4)C9—C10—C11—C12179.0 (3)
O1—C1—C2—O3−1.4 (5)Cd4—O18—C12—O171.1 (4)
O2—C1—C2—O3176.0 (3)Cd4—O18—C12—C11−177.6 (3)
O1—C1—C2—C3−122.5 (4)Cd3i—O17—C12—O18−161.8 (3)
O2—C1—C2—C354.9 (5)Cd3i—O17—C12—C1116.8 (5)
Cd4x—O4—C3—C2118.3 (3)O16—C11—C12—O18164.7 (3)
Cd4x—O4—C3—C4−2.1 (5)C10—C11—C12—O1844.1 (5)
O3—C2—C3—O4−69.3 (4)O16—C11—C12—O17−14.0 (5)
C1—C2—C3—O451.5 (5)C10—C11—C12—O17−134.7 (4)
O3—C2—C3—C452.7 (5)
Symmetry codes: (i) x−1/2, y−1/2, z; (ii) −x+5/2, y−1/2, −z+3/2; (iii) −x+2, y, −z+3/2; (iv) x+1/2, −y+3/2, −z+1; (v) x+1/2, y+1/2, z; (vi) x−1/2, y+1/2, z; (vii) −x+1, y−1, −z+3/2; (viii) x−1, y−1, z; (ix) −x, y, −z+3/2; (x) x+1, y+1, z; (xi) x+1/2, y−1/2, z; (xii) x−1/2, −y+3/2, −z+1.
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O3—H3···O18xiii0.821.962.740 (4)159
O4—H4···O10v0.822.503.236 (6)149
O9—H9···O11iv0.822.172.797 (5)134
O9—H9···O1w0.822.122.68 (2)125
O10—H10···O15v0.822.152.938 (4)160
O15—H15···O1i0.822.132.717 (4)128
O16—H16···O7xiv0.821.842.609 (4)155
O1W—H1W1···O14iv0.822.263.034 (19)157
Symmetry codes: (xiii) −x+3/2, y+1/2, −z+3/2; (v) x+1/2, y+1/2, z; (iv) x+1/2, −y+3/2, −z+1; (i) x−1/2, y−1/2, z; (xiv) x−1, y, z.
Table 1
Hydrogen-bond geometry (Å, °) top
D—H···AD—HH···AD···AD—H···A
O3—H3···O18i0.821.962.740 (4)159
O4—H4···O10ii0.822.503.236 (6)149
O9—H9···O11iii0.822.172.797 (5)134
O9—H9···O1w0.822.122.68 (2)125
O10—H10···O15ii0.822.152.938 (4)160
O15—H15···O1iv0.822.132.717 (4)128
O16—H16···O7v0.821.842.609 (4)155
O1W—H1W1···O14iii0.822.263.034 (19)157
Symmetry codes: (i) −x+3/2, y+1/2, −z+3/2; (ii) x+1/2, y+1/2, z; (iii) x+1/2, −y+3/2, −z+1; (iv) x−1/2, y−1/2, z; (v) x−1, y, z.
Acknowledgements top

We acknowledge support from the Scientific Research Projects of Higher Education of Inner Mongolia (NJzy08217) and the University of Malaya.

references
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