Information card for entry 4105096

Structure parameters

• Common name: (dmpm)Co(py)2
• Chemical name: bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)cobalt(II)
• Formula: C39 H42 Co N4
• Calculated formula: C39 H42 Co N4
• SMILES: [Co]1(n2c(C(C)(C)c3n1c(cc3)c1c(C)cc(C)cc1C)ccc2c1c(C)cc(C)cc1C)([n]1ccccc1)[n]1ccccc1
• 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: 16.09 ± 0.0008 Å
• b: 12.823 ± 0.0007 Å
• c: 17.9711 ± 0.0009 Å
• α: 90°
• β: 114.562 ± 0.001°
• γ: 90°
• Cell volume: 3372.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No