Information card for entry 7042865

Structure parameters

• Formula: C H Cl F Fe Ni P S
• Calculated formula: C3.73333 F1.6 Fe0.266667 Ni0.133333 P0.266667 S0.8
• 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: 39.3157 ± 0.0014 Å
• b: 11.8932 ± 0.0005 Å
• c: 18.1269 ± 0.0006 Å
• α: 90°
• β: 92.5325 ± 0.0013°
• γ: 90°
• Cell volume: 8467.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1456
• Residual factor for significantly intense reflections: 0.1338
• Weighted residual factors for significantly intense reflections: 0.3841
• Weighted residual factors for all reflections included in the refinement: 0.3922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No