Buy article online - an online subscription or single-article purchase is required to access this article.
Download citation
Download citation
link to html
The asymmetric unit in the title compound, {[Cd2(C4H4O6)(SO4)(H2O)5]·3H2O}n, is composed of two cadmium cations, one (R,R)-tartrate and one sulfate anion, five aqua ligands and three solvent water mol­ecules. One of the cadmium ions is coordinated in an octa­hedral environment, whereas the second is surrounded by seven O atoms in a penta­gonal–bipyramidal geometry. Both types of coordination polyhedra form two sets of perpendicular non-inter­secting polymeric chains. CdO6 octa­hedra share two corners, while CdO7 units are joined by a bridging carboxyl­ate group. An extensive hydrogen-bond pattern involving all of the OH groups contributes to the stabilization of the structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270107027862/bg3040sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270107027862/bg3040Isup2.hkl
Contains datablock I

CCDC reference: 659105

Comment top

Tartaric acid and its anions are flexible multidentate O-donor ligands, and many salts and complexes with the majority of metal cations have been reported. A search of the Cambridge Structural Database (CSD; Version 5.28; Allen, 2002) for solid phases containing a transition metal cation and a tartrate anion showed over 60 crystal structures. In those crystals, besides the requested contents, accompanying inorganic and/or organic units were present in the form of cations, anions or neutral components. The search, however, showed no examples of structures containing a single type of cation and inorganic anion. To date, only three structures of cadmium tartrates have been published. Two of these complexes contain additional organic ligands, viz. a hydrated complex of cadmium (R,R)-tartrate with hexamethylenetetramine (Ng, 2004), and a cadmium complex with racemic tartrate and tiourea (Zhou et al., 2001). Moreover, two crystal structures of simple cadmium tartrate have been reported, for one of which, of proposed formula Cd(C4H4O6)·5H2O (Hopwood & Nicol, 1972), the structure has not been determined. The second one, [Cd2(C4H4O6)2(H2O)]n.3nH2O, was published by González-Silgo et al. (1999). In this crystal, two symmetry-independent cadmium cations are present, both of then six-coordinated (CdO6). In one of the cations, the coordination sphere includes six tartrate O atoms, while in the other one, one aqua ligand is present. Since three out of four carboxylate groups are bridging bidentate, a three-dimensional polymeric structure is formed.

We have now synthesized the new title cadmium complex [Cd2(C4H406)(SO4)(H2O)5]·3H2O, (I), with mixed organic/inorganic anions (Cd/tartrate/sulfate/water) in a 2:1:1:8 ratio. The present structure also contains two independent cadmium cations, but the two have different coordination numbers and coordinated ligands (Fig. 1). The distorted octahedral geometry for atom Cd1 is completed by three O atoms from tartrate anions, one sulfate O atom and two water molecules. The Cd2 cation exibits sevenfold coordination; the pentagonal bipyramid is formed by four O atoms from tartrate ligands and by three water molecules. Thus, the sulfate anion behaves as a monodentate ligand, while the (R,R)-tartrate dianion is heptadentate. The Cd—O distances range from 2.233 (3) to 2.397 (2) Å for atom Cd1, and from 2.278 (3) to 2.488 (2) Å for atom Cd2 (Table 1). The shortest distances are observed for Cd—Owater bonds, while a longer than normal value is found for the O5—Cd2 bond as a result of the tridentate and chelating-bridging character of the carboxylate group containing the O atom.

The geometry of the tartrate ion is typical and does not differ significantly from those reported in the literature (e.g. tartrates of the divalent cations Cd2+, Mn2+, Ca2+, Ni2+ and Zn2+; González-Silgo et al., 1999; Ruiz-Pérez et al., 1996; Hawthorne et al., 1982; Bostelaar et al., 1984; Templeton et al. 1985). The conformation around the the C2—C3 bond is trans with a planar zigzag carbon chain. The C1—C2—C3—C4 torsion angle is 175.1 (3)°, which is typical for the T-conformer (Gawronski et al., 1997).

The Cd1 and Cd2 coordination spheres form separate linear polymers of different topology. The Cd1 cations are linked through the O9—C4—O10 bridging carboxylate group, forming chains along [010] (shown in projection in Fig. 2, coming out of the plane), whereas within the second type of chains (running along [100], top to bottom in Fig. 2), the neighbouring Cd2 cations share carboxylate atom O5. Fig. 2 also shows the way in which these two columns are interconnected by the whole tartrate backbone, through its carboxylate arms and the hydroxyl group, leading to a three-dimensional architecture that leaves columnar voids along a which are filled by the solvent water molecules. The very complex hydrogen-bonding scheme arising from the superabundance of donors and acceptors is shown in Fig. 2. Full details are given in Table 2.

A comparison with the reported cadmium tartrate tetrahydrate (González-Silgo et al., 1999) reveals that the inclusion of an SO42- anion in (I) forces an increased number of (coordinated) water molecules in the structure, with the corresponding environment change around the Cd cations.

Related literature top

For related literature, see: Allen (2002); Bostelaar et al. (1984); Gawronski et al. (1997); González-Silgo, González-Platas, Ruiz-Pérez, López & Torres (1999); Hawthorne et al. (1982); Henisch (1970); Hopwood & Nicol (1972); Ng (2004); Ruiz-Pérez, Hernández-Molina, González-Silgo, López, Yanes & Solans (1996); Templeton et al. (1985); Zhou et al. (2001).

Experimental top

Single crystals of hydrated cadmium sulfate tartrate were grown in a silica-gel medium using the technique described by Henisch (1970). A gel was prepared by adding (R,R)-tartaric acid to sodium metasilicate, with continous stirring to avoid excessive local ion concentration. The final pH of the gel was 5.4 and the mixture was found to set in three days at room temperature. A solution of cadmium sulfate was poured over the set gel. The crystallization was carried out in glass tubes of diameter 1.7 cm. The tubes were kept at 308 K and after seven weeks colorless crystals of suitable size were carefully removed from the gel.

Refinement top

H atoms bonded to C and O atoms of the tartrate anion were positioned geometrically. The C—H bonds were set to 1.00 Å and O—H to 0.84 Å. The positions of the water H atoms were found in difference maps and then the O—Hwater distances were fixed at 0.84 Å. All H atoms were included in the refinement in the riding model approximation, with Uiso(H) values of 1.2Ueq(C) and 1.5 Ueq(O).

Computing details top

Data collection: KM-4 CCD Software (Kuma Diffraction, 2000); cell refinement: KM-4 CCD Software; data reduction: KM-4 CCD Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick, 1990) and PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. The atom-numbering of (I) and the coordination polyhedra of cadmium cations (symmetry codes as in Table 1).
[Figure 2] Fig. 2. A view of the packing arrangement along the a axis, showing the two different types of chains as well as their interconnection. O···O interactions arising from the complex hydrogen-bonding scheme (H atoms omitted) are represented by broken lines.
Poly[[pentaaquasulfato-µ4-(R,R)-tartrato-dicadmium(II)] trihydrate] top
Crystal data top
[Cd2(C4H4O6)(SO4)(H2O)5]·3H2OZ = 4
Mr = 613.06F(000) = 1200
Orthorhombic, P212121Dx = 2.373 Mg m3
Hall symbol: P 2ac 2abMo Kα radiation, λ = 0.71073 Å
a = 8.365 (2) ŵ = 2.69 mm1
b = 9.795 (3) ÅT = 100 K
c = 20.946 (5) ÅPrism, colourless
V = 1716.2 (8) Å30.15 × 0.15 × 0.13 mm
Data collection top
Kuma KM-4 CCD area-detector
diffractometer
6950 independent reflections
Radiation source: fine-focus sealed tube4968 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.061
ω scansθmax = 36.6°, θmin = 2.9°
Absorption correction: analytical
(CrysAlis RED; Oxford Diffraction, 2003)
h = 1113
Tmin = 0.689, Tmax = 0.721k = 1315
20890 measured reflectionsl = 2735
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.037H-atom parameters constrained
wR(F2) = 0.059 w = 1/[σ2(Fo2) + (0.0221P)2]
where P = (Fo2 + 2Fc2)/3
S = 0.90(Δ/σ)max = 0.001
6950 reflectionsΔρmax = 1.30 e Å3
228 parametersΔρmin = 1.05 e Å3
0 restraintsAbsolute structure: Flack (1983), 2201 Friedel pairs
Primary atom site location: structure-invariant direct methodsAbsolute structure parameter: 0.05 (2)
Crystal data top
[Cd2(C4H4O6)(SO4)(H2O)5]·3H2OV = 1716.2 (8) Å3
Mr = 613.06Z = 4
Orthorhombic, P212121Mo Kα radiation
a = 8.365 (2) ŵ = 2.69 mm1
b = 9.795 (3) ÅT = 100 K
c = 20.946 (5) Å0.15 × 0.15 × 0.13 mm
Data collection top
Kuma KM-4 CCD area-detector
diffractometer
6950 independent reflections
Absorption correction: analytical
(CrysAlis RED; Oxford Diffraction, 2003)
4968 reflections with I > 2σ(I)
Tmin = 0.689, Tmax = 0.721Rint = 0.061
20890 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.037H-atom parameters constrained
wR(F2) = 0.059Δρmax = 1.30 e Å3
S = 0.90Δρmin = 1.05 e Å3
6950 reflectionsAbsolute structure: Flack (1983), 2201 Friedel pairs
228 parametersAbsolute structure parameter: 0.05 (2)
0 restraints
Special details top

Experimental. crystals grown in silica gel

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
xyzUiso*/Ueq
Cd10.49232 (3)0.39662 (2)0.283235 (11)0.01000 (6)
Cd20.69169 (3)0.34058 (3)0.021338 (12)0.00990 (6)
S0.12883 (12)0.23991 (9)0.29275 (4)0.01068 (19)
O10.2295 (3)0.3585 (3)0.31206 (11)0.0139 (6)
O20.1799 (3)0.1176 (2)0.32822 (11)0.0154 (6)
O30.1502 (3)0.2173 (3)0.22337 (12)0.0157 (6)
O40.0395 (3)0.2702 (3)0.30747 (12)0.0172 (6)
O1W0.5064 (4)0.5054 (2)0.38162 (11)0.0145 (5)
H1W10.46470.58310.38490.022*
H2W10.59860.50810.39740.022*
O2W0.6850 (3)0.4693 (2)0.07107 (11)0.0145 (5)
H1W20.66810.53350.04530.022*
H2W20.60100.42370.07650.022*
O3W0.7323 (3)0.3889 (3)0.23077 (11)0.0137 (6)
H1W30.75680.46210.21230.020*
H2W30.81080.35800.25110.020*
O4W0.8869 (3)0.4853 (3)0.05544 (12)0.0158 (6)
H1W40.86530.52820.08910.024*
H2W40.98070.45500.05740.024*
O5W0.6872 (4)0.2306 (2)0.11741 (11)0.0129 (5)
H1W50.76560.18540.13080.019*
H2W50.66130.28860.14510.019*
O6W0.3350 (4)0.2881 (3)0.45161 (12)0.0186 (6)
H1W60.37830.27870.48750.028*
H2W60.38670.34480.42970.028*
O7W0.0164 (4)0.3001 (2)0.43988 (12)0.0186 (6)
H1W70.07570.27110.44840.028*
H2W70.04720.27020.40440.028*
O8W0.0594 (3)0.0894 (3)0.15001 (11)0.0148 (6)
H1W80.00580.13290.17710.022*
H2W80.09080.01520.16570.022*
O50.4186 (3)0.3024 (2)0.01646 (12)0.0121 (5)
O60.1721 (3)0.3564 (3)0.04455 (12)0.0155 (6)
O70.5477 (3)0.5176 (3)0.07391 (11)0.0121 (6)
H70.57520.59990.07590.018*
O80.3843 (3)0.3733 (2)0.17781 (11)0.0117 (6)
H80.30570.32190.18440.018*
O90.4003 (3)0.7333 (3)0.15598 (12)0.0133 (6)
O100.4551 (3)0.6092 (3)0.24208 (11)0.0119 (5)
C10.3216 (5)0.3797 (4)0.04449 (15)0.0113 (7)
C20.3786 (4)0.5076 (4)0.07983 (16)0.0090 (7)
H210.32790.59000.06030.011*
C30.3303 (4)0.4985 (3)0.15081 (16)0.0080 (7)
H310.21120.50250.15400.010*
C40.4011 (4)0.6210 (3)0.18596 (17)0.0098 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Cd10.01076 (14)0.01013 (11)0.00911 (10)0.00042 (12)0.00034 (11)0.00093 (10)
Cd20.00970 (14)0.01001 (11)0.00998 (11)0.00011 (12)0.00083 (11)0.00111 (11)
S0.0103 (5)0.0118 (4)0.0099 (4)0.0002 (4)0.0003 (3)0.0007 (3)
O10.0146 (15)0.0150 (14)0.0120 (12)0.0027 (11)0.0015 (10)0.0003 (10)
O20.0203 (15)0.0141 (13)0.0118 (11)0.0013 (13)0.0018 (11)0.0008 (10)
O30.0193 (16)0.0172 (13)0.0105 (12)0.0040 (11)0.0023 (11)0.0017 (10)
O40.0116 (17)0.0197 (14)0.0203 (13)0.0033 (11)0.0000 (11)0.0036 (11)
O1W0.0148 (14)0.0127 (12)0.0159 (12)0.0025 (14)0.0050 (12)0.0044 (10)
O2W0.0144 (15)0.0156 (13)0.0134 (12)0.0010 (13)0.0023 (12)0.0024 (10)
O3W0.0096 (14)0.0151 (13)0.0162 (13)0.0002 (11)0.0010 (9)0.0031 (11)
O4W0.0117 (15)0.0174 (14)0.0182 (14)0.0011 (12)0.0019 (11)0.0068 (11)
O5W0.0154 (15)0.0107 (12)0.0127 (12)0.0049 (12)0.0001 (11)0.0003 (10)
O6W0.0256 (18)0.0214 (14)0.0088 (12)0.0004 (13)0.0025 (11)0.0054 (10)
O7W0.0181 (16)0.0195 (13)0.0183 (13)0.0033 (13)0.0012 (13)0.0006 (10)
O8W0.0179 (15)0.0106 (13)0.0160 (13)0.0021 (11)0.0016 (10)0.0020 (11)
O50.0096 (14)0.0125 (12)0.0142 (12)0.0020 (10)0.0012 (10)0.0042 (11)
O60.0090 (15)0.0189 (14)0.0187 (12)0.0025 (12)0.0015 (10)0.0058 (11)
O70.0110 (15)0.0107 (13)0.0146 (13)0.0044 (11)0.0043 (10)0.0007 (10)
O80.0142 (15)0.0078 (13)0.0132 (12)0.0031 (10)0.0012 (10)0.0017 (10)
O90.0147 (15)0.0126 (14)0.0126 (12)0.0002 (11)0.0011 (11)0.0015 (10)
O100.0140 (15)0.0118 (12)0.0098 (11)0.0001 (11)0.0035 (9)0.0006 (10)
C10.009 (2)0.0147 (19)0.0102 (14)0.0015 (16)0.0008 (14)0.0025 (13)
C20.0070 (18)0.0086 (17)0.0113 (17)0.0027 (15)0.0003 (13)0.0016 (14)
C30.0034 (18)0.0068 (16)0.0138 (16)0.0013 (14)0.0028 (13)0.0005 (13)
C40.0057 (19)0.0087 (18)0.0148 (17)0.0038 (14)0.0007 (13)0.0016 (14)
Geometric parameters (Å, º) top
Cd1—O9i2.233 (3)O4W—H1W40.8399
Cd1—O102.275 (3)O4W—H2W40.8400
Cd1—O3W2.290 (3)O5W—H1W50.8400
Cd1—O12.310 (3)O5W—H2W50.8401
Cd1—O1W2.323 (2)O6W—H1W60.8399
Cd1—O82.397 (2)O6W—H2W60.8401
Cd2—O4W2.278 (3)O7W—H1W70.8400
Cd2—O5W2.283 (2)O7W—H2W70.8400
Cd2—O2W2.311 (2)O8W—H1W80.8400
Cd2—O52.317 (3)O8W—H2W80.8400
Cd2—O6ii2.378 (2)O5—C11.255 (4)
Cd2—O72.381 (3)O6—C11.271 (5)
Cd2—O5ii2.488 (2)O7—C21.423 (5)
S—O41.472 (3)O7—H70.8400
S—O21.473 (3)O8—C31.424 (4)
S—O31.481 (3)O8—H80.8400
S—O11.491 (3)O9—C41.267 (4)
O1W—H1W10.8400O10—C41.265 (4)
O1W—H2W10.8400C1—C21.531 (5)
O2W—H1W20.8401C2—C31.543 (5)
O2W—H2W20.8400C2—H211.0000
O3W—H1W30.8400C3—C41.527 (5)
O3W—H2W30.8399C3—H311.0000
O9i—Cd1—O10157.93 (9)O7—Cd2—O5ii160.55 (8)
O9i—Cd1—O3W84.12 (9)O4—S—O2109.62 (17)
O10—Cd1—O3W88.18 (9)O4—S—O3110.58 (15)
O9i—Cd1—O196.77 (10)O2—S—O3109.77 (15)
O10—Cd1—O196.70 (9)O4—S—O1109.06 (15)
O3W—Cd1—O1162.63 (9)O2—S—O1109.45 (15)
O9i—Cd1—O1W78.60 (9)O3—S—O1108.34 (14)
O10—Cd1—O1W85.60 (9)H1W1—O1W—H2W1108.7
O3W—Cd1—O1W113.35 (10)H1W2—O2W—H2W2110.1
O1—Cd1—O1W83.71 (10)H1W3—O3W—H2W3110.6
O9i—Cd1—O8127.49 (8)H1W4—O4W—H2W4109.7
O10—Cd1—O871.74 (8)H1W5—O5W—H2W5109.2
O3W—Cd1—O883.40 (9)H1W6—O6W—H2W6109.8
O1—Cd1—O882.34 (9)H1W7—O7W—H2W7110.6
O1W—Cd1—O8151.66 (9)H1W8—O8W—H2W8109.9
O4W—Cd2—O5W91.67 (10)C2—O7—H7109.5
O4W—Cd2—O2W86.58 (10)C3—O8—H8109.5
O5W—Cd2—O2W174.54 (9)O5—C1—O6121.9 (3)
O4W—Cd2—O5145.19 (9)O5—C1—C2121.2 (3)
O5W—Cd2—O586.93 (10)O6—C1—C2116.9 (3)
O2W—Cd2—O591.55 (9)O7—C2—C1108.9 (3)
O4W—Cd2—O6ii137.44 (9)O7—C2—C3110.4 (3)
O5W—Cd2—O6ii97.34 (9)C1—C2—C3109.7 (3)
O2W—Cd2—O6ii87.42 (9)O7—C2—H21109.3
O5—Cd2—O6ii77.04 (9)C1—C2—H21109.3
O4W—Cd2—O776.36 (9)C3—C2—H21109.3
O5W—Cd2—O785.83 (9)O8—C3—C4111.2 (3)
O2W—Cd2—O788.73 (9)O8—C3—C2110.4 (3)
O5—Cd2—O768.84 (8)C4—C3—C2108.5 (3)
O6ii—Cd2—O7145.54 (9)O8—C3—H31108.9
O4W—Cd2—O5ii84.46 (9)C4—C3—H31108.9
O5W—Cd2—O5ii91.58 (9)C2—C3—H31108.9
O2W—Cd2—O5ii93.40 (9)O10—C4—O9122.8 (3)
O5—Cd2—O5ii130.33 (4)O10—C4—C3121.0 (3)
O6ii—Cd2—O5ii53.91 (9)O9—C4—C3116.2 (3)
O5—C1—C2—O70.2 (4)O7—C2—C3—C455.2 (4)
O6—C1—C2—O7179.3 (3)C1—C2—C3—C4175.1 (3)
O5—C1—C2—C3120.6 (3)O8—C3—C4—O1020.7 (5)
O6—C1—C2—C359.8 (4)C2—C3—C4—O10142.4 (3)
O7—C2—C3—O867.0 (4)O8—C3—C4—O9160.1 (3)
C1—C2—C3—O853.0 (4)C2—C3—C4—O938.4 (4)
Symmetry codes: (i) x+1, y1/2, z+1/2; (ii) x+1/2, y+1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O5Wiii0.841.932.737 (4)162
O1W—H2W1···O2Wiv0.841.942.776 (4)174
O2W—H1W2···O7Wv0.842.092.673 (4)126
O2W—H2W2···O8Wii0.842.052.692 (4)133
O3W—H1W3···O2iii0.841.822.661 (4)177
O3W—H2W3···O4vi0.841.922.753 (4)169
O4W—H1W4···O2iii0.841.982.816 (4)176
O4W—H2W4···O6vi0.841.892.709 (4)165
O5W—H1W5···O8Wvi0.841.782.621 (4)173
O5W—H2W5···O3W0.842.132.861 (4)145
O6W—H1W6···O7Wvii0.841.922.731 (4)162
O6W—H2W6···O1W0.842.122.956 (4)173
O7W—H1W7···O6W0.842.182.952 (4)153
O7W—H2W7···O40.842.032.796 (4)151
O8W—H1W8···O30.841.822.647 (4)166
O8W—H2W8···O1viii0.841.982.788 (4)161
O7—H7···O6Wiii0.842.072.876 (4)160
O8—H8···O30.841.852.661 (4)163
Symmetry codes: (ii) x+1/2, y+1/2, z; (iii) x+1, y+1/2, z+1/2; (iv) x+3/2, y+1, z+1/2; (v) x+1/2, y+1, z1/2; (vi) x+1, y, z; (vii) x+1/2, y+1/2, z+1; (viii) x, y1/2, z+1/2.

Experimental details

Crystal data
Chemical formula[Cd2(C4H4O6)(SO4)(H2O)5]·3H2O
Mr613.06
Crystal system, space groupOrthorhombic, P212121
Temperature (K)100
a, b, c (Å)8.365 (2), 9.795 (3), 20.946 (5)
V3)1716.2 (8)
Z4
Radiation typeMo Kα
µ (mm1)2.69
Crystal size (mm)0.15 × 0.15 × 0.13
Data collection
DiffractometerKuma KM-4 CCD area-detector
diffractometer
Absorption correctionAnalytical
(CrysAlis RED; Oxford Diffraction, 2003)
Tmin, Tmax0.689, 0.721
No. of measured, independent and
observed [I > 2σ(I)] reflections
20890, 6950, 4968
Rint0.061
(sin θ/λ)max1)0.839
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.037, 0.059, 0.90
No. of reflections6950
No. of parameters228
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)1.30, 1.05
Absolute structureFlack (1983), 2201 Friedel pairs
Absolute structure parameter0.05 (2)

Computer programs: KM-4 CCD Software (Kuma Diffraction, 2000), KM-4 CCD Software, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL/PC (Sheldrick, 1990) and PLATON (Spek, 2003), SHELXL97.

Selected bond lengths (Å) top
Cd1—O9i2.233 (3)Cd2—O5W2.283 (2)
Cd1—O102.275 (3)Cd2—O2W2.311 (2)
Cd1—O3W2.290 (3)Cd2—O52.317 (3)
Cd1—O12.310 (3)Cd2—O6ii2.378 (2)
Cd1—O1W2.323 (2)Cd2—O72.381 (3)
Cd1—O82.397 (2)Cd2—O5ii2.488 (2)
Cd2—O4W2.278 (3)
Symmetry codes: (i) x+1, y1/2, z+1/2; (ii) x+1/2, y+1/2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O5Wiii0.841.932.737 (4)162
O1W—H2W1···O2Wiv0.841.942.776 (4)174
O2W—H1W2···O7Wv0.842.092.673 (4)126
O2W—H2W2···O8Wii0.842.052.692 (4)133
O3W—H1W3···O2iii0.841.822.661 (4)177
O3W—H2W3···O4vi0.841.922.753 (4)169
O4W—H1W4···O2iii0.841.982.816 (4)176
O4W—H2W4···O6vi0.841.892.709 (4)165
O5W—H1W5···O8Wvi0.841.782.621 (4)173
O5W—H2W5···O3W0.842.132.861 (4)145
O6W—H1W6···O7Wvii0.841.922.731 (4)162
O6W—H2W6···O1W0.842.122.956 (4)173
O7W—H1W7···O6W0.842.182.952 (4)153
O7W—H2W7···O40.842.032.796 (4)151
O8W—H1W8···O30.841.822.647 (4)166
O8W—H2W8···O1viii0.841.982.788 (4)161
O7—H7···O6Wiii0.842.072.876 (4)160
O8—H8···O30.841.852.661 (4)163
Symmetry codes: (ii) x+1/2, y+1/2, z; (iii) x+1, y+1/2, z+1/2; (iv) x+3/2, y+1, z+1/2; (v) x+1/2, y+1, z1/2; (vi) x+1, y, z; (vii) x+1/2, y+1/2, z+1; (viii) x, y1/2, z+1/2.
 

Subscribe to Acta Crystallographica Section C: Structural Chemistry

The full text of this article is available to subscribers to the journal.

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

Buy online

You may purchase this article in PDF and/or HTML formats. For purchasers in the European Community who do not have a VAT number, VAT will be added at the local rate. Payments to the IUCr are handled by WorldPay, who will accept payment by credit card in several currencies. To purchase the article, please complete the form below (fields marked * are required), and then click on `Continue'.
E-mail address* 
Repeat e-mail address* 
(for error checking) 

Format*   PDF (US $40)
   HTML (US $40)
   PDF+HTML (US $50)
In order for VAT to be shown for your country javascript needs to be enabled.

VAT number 
(non-UK EC countries only) 
Country* 
 

Terms and conditions of use
Contact us

Follow Acta Cryst. C
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds