Information card for entry 4105100

Structure parameters

• Common name: (dmpm)Fe(bpy)
• Chemical name: bipyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)nickel(II)
• Formula: C47 H56 Fe N4 O2
• Calculated formula: C47 H56 Fe N4 O2
• 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: 10.7737 ± 0.0003 Å
• b: 23.0411 ± 0.0005 Å
• c: 16.5575 ± 0.0004 Å
• α: 90°
• β: 90.09 ± 0.001°
• γ: 90°
• Cell volume: 4110.19 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0618
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No