Information card for entry 7042862

Structure parameters

• Formula: C29 H33 Cl2 Cu F6 Fe2 P S6
• Calculated formula: C29 H33.492 Cl2 Cu F6 Fe2 P 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: 8.8586 ± 0.0006 Å
• b: 14.7856 ± 0.0007 Å
• c: 17.1123 ± 0.001 Å
• α: 66.542 ± 0.003°
• β: 78.47 ± 0.004°
• γ: 80.944 ± 0.004°
• Cell volume: 2007.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No