Information card for entry 4105095

Structure parameters

• Common name: (dmpm)Fe(py)2
• Chemical name: bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)iron(II)
• Formula: C39 H42 Fe N4
• Calculated formula: C39 H42 Fe N4
• 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: 14.1937 ± 0.0002 Å
• b: 10.4697 ± 0.0001 Å
• c: 23.1322 ± 0.0003 Å
• α: 90°
• β: 104.822 ± 0.001°
• γ: 90°
• Cell volume: 3323.15 ± 0.07 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No