Information card for entry 4103349

Structure parameters

• Formula: C71 H81.5 B F1.5 Fe N3
• Calculated formula: C71 H81.5 B F1.5 Fe N3
• Title of publication: Synthesis and Electronic Structure of Cationic, Neutral, and Anionic Bis(imino)pyridine Iron Alkyl Complexes: Evaluation of Redox Activity in Single-Component Ethylene Polymerization Catalysts
• Authors of publication: Aaron M. Tondreau; Carsten Milsmann; Andrew D. Patrick; Helen M. Hoyt; Emil Lobkovsky; Karl Wieghardt; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15046 - 15059
• a: 21.3132 ± 0.0007 Å
• b: 12.8607 ± 0.0004 Å
• c: 25.0256 ± 0.0009 Å
• α: 90°
• β: 106.462 ± 0.001°
• γ: 90°
• Cell volume: 6578.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No