Information card for entry 4308220

Structure parameters

• Formula: C7 H4 Fe N3 O2 S2
• Calculated formula: C7 H4 Fe N3 O2 S2
• Title of publication: Dinitrosyl Iron Complexes (DNICs) Containing S/N/O Ligation: Transformation of Roussin's Red Ester into the Neutral {Fe(NO)2}10DNICs
• Authors of publication: Ming-Li Tsai; Chung-Hung Hsieh; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5110 - 5117
• a: 7.3947 ± 0.0015 Å
• b: 8.2739 ± 0.0016 Å
• c: 9.1533 ± 0.0018 Å
• α: 69.3 ± 0.002°
• β: 68.851 ± 0.002°
• γ: 78.218 ± 0.003°
• Cell volume: 486.7 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No