Information card for entry 8105395

Structure parameters

• Formula: C32 H26 N2 Ni O11
• Calculated formula: C32 H26 N2 Ni O11
• Title of publication: Crystal structure of catena-poly[triaqua-(μ2-1,4-di(pyridin-4-yl)benzene-κ2 N:N′)-(3′,5-dicarboxy-[1,1′-biphenyl]-3,4′-dicarboxylato-κO)nickel(II)], C32H26N2O11Ni
• Authors of publication: Chen, Shi-Jun; Li, Shi-Hui; Zhao, Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1119 - 1121
• a: 7.6085 ± 0.0005 Å
• b: 23.5084 ± 0.0014 Å
• c: 15.8052 ± 0.0009 Å
• α: 90°
• β: 94.207 ± 0.006°
• γ: 90°
• Cell volume: 2819.4 ± 0.3 ų
• Cell temperature: 290.11 ± 0.1 K
• Ambient diffraction temperature: 290.11 ± 0.1 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: 0.0803
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No