Information card for entry 2019983

Structure parameters

• Chemical name: Poly[[aqua(μ~5~-1,1'-biphenyl-2,2',5,5'-tetracarboxylato)bis[μ~2~-1,4-bis(1<i>H</i>-imidazol-1-yl)benzene]dicadmium(II)] dihydrate]
• Formula: C40 H32 Cd2 N8 O11
• Calculated formula: C40 H32 Cd2 N8 O11
• Title of publication: A three-dimensional Cd^II^ coordination polymer constructed from 1,1'-biphenyl-2,2',5,5'-tetracarboxylate and 1,4-bis(1<i>H</i>-imidazol-1-yl)benzene ligands
• Authors of publication: Su, Feng; Lu, Li-Ping
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• a: 13.8742 ± 0.0005 Å
• b: 16.5419 ± 0.0006 Å
• c: 18.5356 ± 0.0009 Å
• α: 90°
• β: 110.547 ± 0.001°
• γ: 90°
• Cell volume: 3983.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes