Information card for entry 4108263

Structure parameters

• Formula: C37 H50 Br Fe N3 O
• Calculated formula: C37 H50 Br Fe N3 O
• Title of publication: Bis(imino)pyridine Iron Alkyls Containing β-Hydrogens: Synthesis, Evaluation of Kinetic Stability, and Decomposition Pathways Involving Chelate Participation
• Authors of publication: Ryan J. Trovitch; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 11631 - 11640
• a: 10.2777 ± 0.0003 Å
• b: 15.6945 ± 0.0006 Å
• c: 22.1373 ± 0.0007 Å
• α: 90°
• β: 100.634 ± 0.002°
• γ: 90°
• Cell volume: 3509.5 ± 0.2 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: 0.086
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No