Information card for entry 8104661

Structure parameters

• Formula: C36 H36 F6 N12 Ni Si
• Calculated formula: C36 H36 F6 N12 Ni Si
• Title of publication: Crystal structure of poly[bis[μ 3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ 3 N:N′:N″]nickel(II)] hexafluorosilicate, C36H36N12NiSiF6
• Authors of publication: Xu, Xi-Ting; Dong, Tong-Min; Song, Wei; Zhong, Kai-Long
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1043 - 1045
• a: 9.5965 ± 0.0003 Å
• b: 9.5965 ± 0.0003 Å
• c: 11.8821 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 947.65 ± 0.08 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No