Information card for entry 7214258

Structure parameters

• Formula: C90 H76 N20 Ni3 O18
• Calculated formula: C90 H76 N20 Ni3 O18
• Title of publication: Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers
• Authors of publication: Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 3203
• a: 13.4907 ± 0.0014 Å
• b: 13.505 ± 0.0014 Å
• c: 13.7924 ± 0.0014 Å
• α: 102.084 ± 0.002°
• β: 97.561 ± 0.002°
• γ: 116.001 ± 0.002°
• Cell volume: 2136 ± 0.4 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: 0.0582
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No