Information card for entry 4328772

Structure parameters

• Formula: C28 H58 Fe K2 N2 O14 S2
• Calculated formula: C28 H58 Fe K2 N2 O14 S2
• SMILES: C(C)[S]12[Fe](N=O)([S](CC)([K]345671[O]1CC[O]6CC[O]7CC[O]3CC[O]4CC[O]5CC1)[K]134562[O]2CC[O]1CC[O]3CC[O]4CC[O]6CC[O]5CC2)N=O
• Title of publication: Insight into the Dinuclear {Fe(NO)2}10{Fe(NO)2}10 and Mononuclear {Fe(NO)2}10 Dinitrosyliron Complexes
• Authors of publication: Shih-Wey Yeh; Chih-Wei Lin; Ya-Wen Li; I-Jui Hsu; Chien-Hong Chen; Ling-Yun Jang; Jyh-Fu Lee; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4076 - 4087
• a: 21.638 ± 0.003 Å
• b: 10.736 ± 0.0017 Å
• c: 20.609 ± 0.003 Å
• α: 90°
• β: 104.132 ± 0.003°
• γ: 90°
• Cell volume: 4642.7 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1401
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No