Information card for entry 4347375

Structure parameters

• Formula: C24 H16.52 N10 Ni O0.26
• Calculated formula: C24 H16.52 N10 Ni O0.26
• Title of publication: Shape-Asymmetry Supramolecular Isomerism in Asymmetrical Ligand PCPs and the Expression Method of Three-Level Isomerism.
• Authors of publication: Gao, Xiaonan; Fu, Ai-Yun; Wang, Yao-Yu
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 4330 - 4334
• a: 9.063 ± 0.003 Å
• b: 14.691 ± 0.005 Å
• c: 9.143 ± 0.003 Å
• α: 90°
• β: 106.547 ± 0.005°
• γ: 90°
• Cell volume: 1166.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No