Information card for entry 4311407

Structure parameters

• Formula: C36 H30 Fe N3 O2 P2 S5
• Calculated formula: C36 H30 Fe N3 O2 P2 S5
• SMILES: [Fe]1(SSSSS1)(N=O)N=O.P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Photochemistry of the Dinitrosyl Iron Complex [S5Fe(NO)2]- Leading to Reversible Formation of [S5Fe(μ-S)2FeS5]2-: Spectroscopic Characterization of Species Relevant to the Nitric Oxide Modification and Repair of [2Fe-2S] Ferredoxins
• Authors of publication: Ming-Li Tsai; Chiao-Chun Chen; I-Jui Hsu; Shyue-Chu Ke; Chung-Hung Hsieh; Kuo-An Chiang; Gene-Hsiang Lee; Yu Wang; Jin-Ming Chen; Jyh-Fu Lee; Wen-Feng Liaw
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5159 - 5167
• a: 10.5096 ± 0.0001 Å
• b: 12.5288 ± 0.0001 Å
• c: 15.1664 ± 0.0002 Å
• α: 112.003 ± 0.0005°
• β: 90.6617 ± 0.0004°
• γ: 91.199 ± 0.0004°
• Cell volume: 1850.74 ± 0.03 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No