Information card for entry 8106812

Structure parameters

• Formula: C40 H40 N4 Ni O12
• Calculated formula: C40 H40 N4 Ni O12
• Title of publication: Crystal structure of catena-poly[diaqua-μ2-4,4′-biphenyl-4,4′-diyldipyridine-κ2 N:N′-bis(5-carboxy-2,6-dimethylpyridine-3-carboxylato-κO)nickel(II)] dihydrate, C40H40N4O12Ni
• Authors of publication: Li, Shi-Hui; Hu, Xu-Ze; Zhao, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 157 - 159
• a: 7.6612 ± 0.0006 Å
• b: 8.0725 ± 0.0007 Å
• c: 16.3021 ± 0.001 Å
• α: 89.394 ± 0.006°
• β: 77.966 ± 0.006°
• γ: 69.868 ± 0.008°
• Cell volume: 923.75 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No