Information card for entry 7042861

Structure parameters

• Formula: C28 H33.5 Co F12 Fe2 P2 S6
• Calculated formula: C28 H46 Co F12 Fe2 P2 S6
• Title of publication: Synthesis and Characterization of a Family of Thioether-Dithiolate-Bridged Heteronuclear Iron Complexes
• Authors of publication: Qu, Jingping; Zhang, Yahui; Yang, Dawei; Li, Ying; Wang, Baomin; Zhao, Xiangyu
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 39.9194 ± 0.0012 Å
• b: 11.8698 ± 0.0003 Å
• c: 18.0617 ± 0.0006 Å
• α: 90°
• β: 91.9193 ± 0.0012°
• γ: 90°
• Cell volume: 8553.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No