Information card for entry 2018408

Structure parameters

• Chemical name: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~- pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5- dicarboxylato)tetracadmium(II)] dihydrate]
• Formula: C35 H26 Cd4 N10 O15
• Calculated formula: C35 H26 Cd4 N10 O15
• Title of publication: A novel three-dimensional Cd^II^ coordination polymer: poly[[aquabis(2,2'-bipyridine)(μ~5~-pyrazol-1-ide-3,5-dicarboxylato)(μ~4~-pyrazol-1-ide-3,5-dicarboxylato)(μ~3~-pyrazole-3,5-dicarboxylato)tetracadmium(II)] dihydrate]
• Authors of publication: Fan, Chunhua; Yue, Yanfeng; Lu, Zhengliang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m76 - m79
• a: 15.574 ± 0.003 Å
• b: 16.197 ± 0.003 Å
• c: 16.928 ± 0.003 Å
• α: 90°
• β: 109.21 ± 0.03°
• γ: 90°
• Cell volume: 4032.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes