Information card for entry 4129691

Structure parameters

• Formula: C51 H66 Fe N4 Si
• Calculated formula: C51 H66 Fe N4 Si
• SMILES: [Fe](N([SiH2]c1ccccc1)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: 11.3109 ± 0.0011 Å
• b: 23.88 ± 0.002 Å
• c: 17.4294 ± 0.0017 Å
• α: 90°
• β: 98.003 ± 0.002°
• γ: 90°
• Cell volume: 4661.9 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No