Information card for entry 7219261

Structure parameters

• Formula: C30 H20 N3 Ni O6
• Calculated formula: C30 H20 N3 Ni O6
• Title of publication: Peculiar phenomena of structural transformations triggered from a nickel coordination polymer
• Authors of publication: Kang, Meng; Yang, Guo-Ping; Hou, Lei; Wu, Wei-Ping; Wu, Yun-Long; Wang, Yao-Yu
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1839
• a: 15.331 ± 0.003 Å
• b: 33.859 ± 0.007 Å
• c: 10.827 ± 0.002 Å
• α: 90°
• β: 104.229 ± 0.003°
• γ: 90°
• Cell volume: 5447.8 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No