Information card for entry 4326455

Structure parameters

• Formula: C67 H55 B F24 Fe N3 O2
• Calculated formula: C67 H55 B F24 Fe N3 O2
• Title of publication: Oxidation and Reduction of Bis(imino)pyridine Iron Dicarbonyl Complexes
• Authors of publication: Aaron M. Tondreau; Carsten Milsmann; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9888 - 9895
• a: 17.4932 ± 0.0011 Å
• b: 18.025 ± 0.0011 Å
• c: 22.4714 ± 0.0013 Å
• α: 90°
• β: 106.01 ± 0.003°
• γ: 90°
• Cell volume: 6810.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No