Information card for entry 4130003

Structure parameters

• Formula: C37 H35 Cl3 F6 Fe N3
• Calculated formula: C37 H35 Cl3 F6 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: 12.267 ± 0.004 Å
• b: 12.613 ± 0.004 Å
• c: 13.807 ± 0.004 Å
• α: 76.462 ± 0.004°
• β: 82.7 ± 0.004°
• γ: 71.185 ± 0.004°
• Cell volume: 1962.8 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1692
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2581
• Weighted residual factors for all reflections included in the refinement: 0.3026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No