Information card for entry 4087439

Structure parameters

• Formula: C30 H50 Cl2 F12 Fe3 P2 S6
• Calculated formula: C30 H50 Cl2 F12 Fe3 P2 S6
• Title of publication: Synthesis and Reactivity of Thioether-Dithiolate-Bridged Multi-iron Complexes
• Authors of publication: Li, Ying; Zhang, Yahui; Yang, Dawei; Li, Yang; Sun, Puhua; Wang, Baomin; Qu, Jingping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1661
• a: 19.8141 ± 0.0006 Å
• b: 11.9789 ± 0.0004 Å
• c: 18.6461 ± 0.0005 Å
• α: 90°
• β: 92.086 ± 0.002°
• γ: 90°
• Cell volume: 4422.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4087432
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No