Information card for entry 7040991

Structure parameters

• Formula: C25 H31 Co F6 Fe P S2
• Calculated formula: C25 H31 Co F6 Fe P S2
• Title of publication: Structural characterization and proton reduction electrocatalysis of thiolate-bridged bimetallic (CoCo and CoFe) complexes.
• Authors of publication: Tong, Peng; Xie, Wenjie; Yang, Dawei; Wang, Baomin; Ji, Xiaoxiao; Li, Jianzhe; Qu, Jingping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18559 - 18565
• a: 16.773 ± 0.005 Å
• b: 15.626 ± 0.005 Å
• c: 10.675 ± 0.003 Å
• α: 90°
• β: 103.051 ± 0.004°
• γ: 90°
• Cell volume: 2725.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No