Information card for entry 2207654

Structure parameters

• Chemical name: catena-Poly[[aqua(1H-imidazole-κN)cadmium(II)]- μ-thiodiacetato-κ^4^O,S,O':O'']
• Formula: C7 H10 Cd N2 O5 S
• Calculated formula: C7 H10 Cd N2 O5 S
• SMILES: [Cd]12([S](CC(=O)O1)CC(=O)O2)([n]1c[nH]cc1)([OH2])[O]=C1O[Cd]2([S](C1)CC(=O)O2)([n]1c[nH]cc1)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(1<i>H</i>-imidazole-κ<i>N</i>)cadmium(II)]-μ-thiodiacetato-κ^4^<i>O</i>,<i>S</i>,<i>O</i>':<i>O</i>'']
• Authors of publication: Tian-Tian Pan; Duan-Jun Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2674 - m2676
• a: 14.928 ± 0.005 Å
• b: 8.326 ± 0.003 Å
• c: 8.83 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.5 ± 0.7 ų
• Cell temperature: 295 ± 3 K
• Ambient diffraction temperature: 295 ± 3 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes