Information card for entry 4125630

Structure parameters

• Formula: C24 H32 B F4 Fe N5 O3
• Calculated formula: C24 H32 B F4 Fe N5 O3
• SMILES: [Fe]1(N=O)(N=O)(N=O)[N](c2c(cccc2CC)CC)=C(C(=[N]1c1c(cccc1CC)CC)C)C.[B](F)(F)(F)[F-]
• Title of publication: {Fe(NO)2}(9) Dinitrosyl Iron Complex Acting as a Vehicle for the NO Radical.
• Authors of publication: Ke, Chun-Hung; Chen, Chien-Hong; Tsai, Ming-Li; Wang, Hsuan-Chi; Tsai, Fu-Te; Chiang, Yun-Wei; Shih, Wei-Chih; Bohle, D. Scott; Liaw, Wen-Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 67 - 70
• a: 10.9335 ± 0.0005 Å
• b: 12.7302 ± 0.0006 Å
• c: 19.1398 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2664 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No