Information card for entry 4129999

Structure parameters

• Formula: C41 H47 Cl3 F Fe N3
• Calculated formula: C41 H47 Cl3 F Fe N3
• Title of publication: Characterization of Iron-Imido Species Relevant for N-Group Transfer Chemistry.
• Authors of publication: Iovan, Diana A.; Betley, Theodore A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 6
• Pages of publication: 1983 - 1993
• a: 12.1706 ± 0.0018 Å
• b: 16.847 ± 0.003 Å
• c: 19.035 ± 0.003 Å
• α: 90°
• β: 93.66 ± 0.003°
• γ: 90°
• Cell volume: 3894.9 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100.01 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: 0.0789
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No