Information card for entry 4060245

Structure parameters

• Formula: C22 H18 Fe4 O12 S2
• Calculated formula: C22 H18 Fe4 O12 S2
• Title of publication: General Synthetic Route to Double-Butterfly Fe/S Cluster Complexes via Reactions of the Dianions {[(μ-CO)Fe2(CO)6]2(μ-SZS-μ)}2-with Electrophiles
• Authors of publication: Song, Li-Cheng; Gong, Feng-Hua; Meng, Tao; Ge, Jian-Hua; Cui, Li-Na; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 823 - 831
• a: 7.949 ± 0.004 Å
• b: 8.814 ± 0.004 Å
• c: 11.157 ± 0.005 Å
• α: 98.568 ± 0.008°
• β: 98.011 ± 0.008°
• γ: 110.77 ± 0.008°
• Cell volume: 706.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060241
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No