Information card for entry 4105097

Structure parameters

• Common name: (dmpm)Ni(py)2
• Chemical name: bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)nickel(II)
• Formula: C43 H50 N4 Ni O
• Calculated formula: C43 H50 N4 Ni O
• SMILES: [Ni]1([n]2ccccc2)([n]2ccccc2)n2c(C(C)(C)c3n1c(cc3)c1c(C)cc(C)cc1C)ccc2c1c(C)cc(C)cc1C.O1CCCC1
• Title of publication: Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands
• Authors of publication: Evan R. King; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14374 - 14380
• a: 9.2319 ± 0.001 Å
• b: 27.39 ± 0.003 Å
• c: 14.7364 ± 0.0015 Å
• α: 90°
• β: 96.2208 ± 0.0017°
• γ: 90°
• Cell volume: 3704.3 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No