Information card for entry 4125625

Structure parameters

• Formula: C24 H32 Fe N4 O2
• Calculated formula: C24 H32 Fe N4 O2
• SMILES: c1(c(cccc1CC)CC)[N]1=C(C(=[N]([Fe]1(N=O)N=O)c1c(cccc1CC)CC)C)C
• 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: 8.3711 ± 0.0004 Å
• b: 17.0618 ± 0.0009 Å
• c: 18.6672 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2666.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No