Information card for entry 2206759

Structure parameters

• Chemical name: Tris(1H-benzimidazole-κN^3^)(thiodiacetato-κ^3^O,S,O')cadmium(II) dihydrate
• Formula: C25 H26 Cd N6 O6 S
• Calculated formula: C25 H26 Cd N6 O6 S
• SMILES: [Cd]12([S](CC(=O)O1)CC(=O)O2)([n]1c[nH]c2ccccc12)([n]1c[nH]c2ccccc12)[n]1c[nH]c2ccccc12.O.O
• Title of publication: Tris(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)(thiodiacetato-κ^3^<i>O</i>,<i>S</i>,<i>O</i>')cadmium(II) dihydrate
• 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: 9
• Pages of publication: m1735 - m1737
• a: 10.6042 ± 0.0003 Å
• b: 20.1157 ± 0.0008 Å
• c: 25.9795 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5541.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes