Information card for entry 7053412

Structure parameters

• Formula: C78 H80 N30 Ni6 O13
• Calculated formula: C78 H80 N30 Ni6 O13
• Title of publication: A novel large Ni-azido circle with tridentate (NNO) Schiff base co-ligands: hexagonal structure and ferromagnetic properties
• Authors of publication: Sun, Baiwang; Chen, Xiaodan; Li, Zhongshu; Zhang, Lei; Zhao, Qihua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 190
• a: 16.86 ± 0.003 Å
• b: 22.734 ± 0.005 Å
• c: 23.243 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8909 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No