Information card for entry 2215205

Structure parameters

• Chemical name: Tetraaquabis(nicotinamide-κN)cadmium(II) bis(4-formylbenzoate)
• Formula: C28 H30 Cd N4 O12
• Calculated formula: C28 H30 Cd N4 O12
• Title of publication: Tetraaquabis(nicotinamide-κ<i>N</i>)cadmium(II) bis(4-formylbenzoate)
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2323 - m2323
• a: 14.922 ± 0.001 Å
• b: 7.0382 ± 0.0004 Å
• c: 14.03 ± 0.001 Å
• α: 90°
• β: 98.634 ± 0.002°
• γ: 90°
• Cell volume: 1456.79 ± 0.17 ų
• Cell temperature: 295 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes