Information card for entry 4130004

Structure parameters

• Formula: C23 H25 Cl4 Fe N2
• Calculated formula: C23 H25 Cl4 Fe N2
• SMILES: [Fe]1(Cl)(Cl)[n]2c(ccc2C(C)(C)C)=C(c2n1c(C(C)(C)C)cc2)c1c(Cl)cccc1Cl
• 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: 15.064 ± 0.002 Å
• b: 17.537 ± 0.003 Å
• c: 11.077 ± 0.003 Å
• α: 90°
• β: 126.613 ± 0.002°
• γ: 90°
• Cell volume: 2348.9 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No