Information card for entry 4130005

Structure parameters

• Formula: C39 H33 Cl2 F12 Fe N4
• Calculated formula: C39 H33 Cl2 F12 Fe N4
• 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: 11.6153 ± 0.0011 Å
• b: 11.8003 ± 0.001 Å
• c: 16.1066 ± 0.0015 Å
• α: 73.913 ± 0.002°
• β: 88.916 ± 0.002°
• γ: 85.031 ± 0.002°
• Cell volume: 2113.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0984
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No