Information card for entry 4304503

Structure parameters

• Formula: C19 H32 Cl2 Fe N6 Na O8
• Calculated formula: C19 H32 Cl2 Fe N6 Na O8
• SMILES: [Fe](N=O)(N=O)(n1ccnc1)n1cncc1.ClCCl.[Na]1234[O]5CC[O]1CC[O]2CC[O]3CCOCC[O]4CC5
• Title of publication: New Members of a Class of Dinitrosyliron Complexes (DNICs): Interconversion and Spectroscopic Discrimination of the Anionic {Fe(NO)2}9[(NO)2Fe(C3H3N2)2]- and [(NO)2Fe(C3H3N2)(SR)]- (C3H3N2= Deprotonated Imidazole; R =tBu, Et, Ph)
• Authors of publication: Hsiao-Wen Huang; Chih-Chin Tsou; Ting-Shen Kuo; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2196 - 2204
• a: 13.3352 ± 0.0003 Å
• b: 20.2099 ± 0.0005 Å
• c: 21.6219 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5827.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No