Information card for entry 7203284

Structure parameters

• Formula: C50 H40 N12 Ni O7
• Calculated formula: C50 H34 N12 Ni O7
• Title of publication: Syntheses, crystal structures, and properties of complexes constructed with polybenzoate and 2,2′-bibenzimidazole
• Authors of publication: Xia, Chang-Kun; Lu, Can-Zhong; Yuan, Da-Qiang; Zhang, Quan-Zheng; Wu, Xiao-Yuan; Xiang, Sheng-Chang; Zhang, Jian-Jun; Wu, Ding-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 281
• a: 12.1901 ± 0.0002 Å
• b: 28.2433 ± 0.0004 Å
• c: 14.47 Å
• α: 90°
• β: 92.304 ± 0.001°
• γ: 90°
• Cell volume: 4977.83 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No