Information card for entry 8105234

Structure parameters

• Formula: C33 H39 Cl2 N9 Ni O12
• Calculated formula: C33 H39 Cl2 N9 Ni O12
• Title of publication: Crystal structure of (pyridine-2-carboxamide-κ2 N,O)-[tris((1H-benzo[d]imidazol-2-yl)methyl)amine-κ4 N,N′,N′′,N′′′]nickel(II) diperchlorate — methanol (1/3), C33H39Cl2N9NiO12
• Authors of publication: Zhang, Jun-Chao; Chen, Jiang-Li; Nie, Feng-Mei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 607 - 609
• a: 9.7478 ± 0.0004 Å
• b: 20.6247 ± 0.0007 Å
• c: 19.0897 ± 0.0011 Å
• α: 90°
• β: 92.767 ± 0.005°
• γ: 90°
• Cell volume: 3833.4 ± 0.3 ų
• Cell temperature: 108.4 ± 0.2 K
• Ambient diffraction temperature: 108.4 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No