Information card for entry 2211510

Structure parameters

• Chemical name: Aqua(benzimidazole-κN)bis(4-formylbenzoato)-κO;κ^2^O,O'-cadmium(II) tetrahydrate
• Formula: C30 H32 Cd N4 O11
• Calculated formula: C30 H32 Cd N4 O11
• SMILES: [Cd]1(OC(=[O]1)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([OH2])([n]1c2ccccc2[nH]c1)[n]1c2ccccc2[nH]c1.O.O.O.O
• Title of publication: Aquabis(benzimidazole-κ<i>N</i>)bis(4-formylbenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-cadmium(II) tetrahydrate
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3251 - m3253
• a: 11.294 ± 0.002 Å
• b: 12.656 ± 0.002 Å
• c: 12.936 ± 0.003 Å
• α: 73.024 ± 0.003°
• β: 69.403 ± 0.003°
• γ: 70.883 ± 0.003°
• Cell volume: 1602.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes