Information card for entry 8107365

Structure parameters

• Formula: C76 H65 Cl2 N13 Ni3 O9
• Calculated formula: C76 H65 Cl2 N13 Ni3 O9
• Title of publication: Crystal structure of bis(μ2-5-chloro-2-oxido-N-(1-oxido-2-oxo-2-phenylethylidene)-benzohydrazonato-κ5 N,O,O′:N′,O′′)-oktakis(pyridine-κ1 N)trinickel(II) – methanol – pyridine (1/1/1) C76H65N13Cl2Ni3O9
• Authors of publication: Zhongyuan, Zhou; Liguo, Yang; Kun, Zou; Jiaqi, Fu; Xinyu, Ji
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 105 - 108
• a: 15.937 ± 0.004 Å
• b: 16.805 ± 0.004 Å
• c: 27.463 ± 0.007 Å
• α: 90°
• β: 94.613 ± 0.003°
• γ: 90°
• Cell volume: 7331 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No