Information card for entry 7203280

Structure parameters

• Formula: C22 H14 N4 Ni O4
• Calculated formula: C22 H14 N4 Ni O4
• 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: 7.2779 ± 0.0011 Å
• b: 21.675 ± 0.003 Å
• c: 11.786 ± 0.002 Å
• α: 90°
• β: 97.484 ± 0.007°
• γ: 90°
• Cell volume: 1843.4 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No