Information card for entry 4333764

Structure parameters

• Formula: C24 H40 Fe N4 O2 Si2
• Calculated formula: C24 H40 Fe N4 O2 Si2
• SMILES: c1(c(C)cc(cc1C)C)N([Fe](N=O)(N=O)N(c1c(C)cc(C)cc1C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif
• Authors of publication: Chih-Chin Tsou; Fu-Te Tsai; Huang-Yeh Chen; I-Jui Hsu; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1631 - 1639
• a: 13.1256 ± 0.001 Å
• b: 11.3614 ± 0.0009 Å
• c: 19.5259 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2911.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1268
• 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