Information card for entry 4075348

Structure parameters

• Formula: C15 H11 Fe2 O6.25 S Se
• Calculated formula: C15 H11 Fe2 O6.25 S Se
• Title of publication: Synthetic and Structural Investigations on Double- and Single-Butterfly Fe/E (E = S, Se) Cluster Complexes Containing Diselenolate Ligands
• Authors of publication: Song, Li-Cheng; Zeng, Guang-Huai; Mei, Shu-Zhen; Lou, Shao-Xia; Hu, Qing-Mei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3468
• a: 8.609 ± 0.003 Å
• b: 19.667 ± 0.006 Å
• c: 13.705 ± 0.003 Å
• α: 90°
• β: 90.257 ± 0.003°
• γ: 90°
• Cell volume: 2320.4 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1887
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No