Information card for entry 4129692

Structure parameters

• Formula: C58 H68 Fe N6
• Calculated formula: C58 H68 Fe N6
• SMILES: [Fe]1(N(C(=N\c2ccccc2)/N1c1ccccc1)c1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Three-coordinate iron(IV) bisimido complexes with aminocarbene ligation: synthesis, structure, and reactivity.
• Authors of publication: Wang, Lei; Hu, Lianrui; Zhang, Hezhong; Chen, Hui; Deng, Liang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 44
• Pages of publication: 14196 - 14207
• a: 20.253 ± 0.002 Å
• b: 14.3344 ± 0.0013 Å
• c: 19.813 ± 0.0019 Å
• α: 90°
• β: 93.32 ± 0.002°
• γ: 90°
• Cell volume: 5742.3 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.1101
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No