Information card for entry 8103309

Structure parameters

• Formula: C112 H90 Cu4 N8 O37
• Calculated formula: C112 H90 Cu4 N8 O37
• Title of publication: Crystal structure of tetra[(2,6-dicarboxylato-2',6'-dicarboxy-1,1'-biphenyl)-(6,6'-dimethyl-2,2'-bipyridine)copper(II)] pentahydrate, [Cu(C16H8O8)(C12H12N2)]4 · 5H2O
• Authors of publication: Xi-Ying Hu; Jian-Xu Wang; Wen-Wen Shan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 227
• a: 10.147 ± 0.002 Å
• b: 17.955 ± 0.004 Å
• c: 17.301 ± 0.003 Å
• α: 90°
• β: 125.705 ± 0.009°
• γ: 90°
• Cell volume: 2559.6 ± 0.9 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276 ± 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: 0.1016
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No