Information card for entry 2211509

Structure parameters

• Chemical name: Bis(μ-4-formylbenzoato)-κ^3^O,O':O';κ^3^O:O,O'-bis[(4-formylbenzoato- κ^2^O,O')(imidazole-κN)cadmium(II)] dihydrate
• Formula: C44 H40 Cd2 N8 O14
• Calculated formula: C44 H36 Cd2 N8 O13.98
• Title of publication: Bis(μ-4-formylbenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')(imidazole-κ<i>N</i>)cadmium(II)] dihydrate
• 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: m3249 - m3250
• a: 12.354 ± 0.004 Å
• b: 13.241 ± 0.005 Å
• c: 14.769 ± 0.004 Å
• α: 90°
• β: 98.784 ± 0.013°
• γ: 90°
• Cell volume: 2387.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes