Information card for entry 4346434

Structure parameters

• Formula: C26 H34 B F4 Fe Ru S2
• Calculated formula: C26 H34 B F4 Fe Ru S2
• SMILES: [B](F)(F)(F)[F-].[c]12([c]3([Ru]4567892([c]1([c]4(C)[c]37C)C)[S]1[c]25cccc[c]92[S]8[Fe]234561[c]1([c]2([c]3([c]5([c]41C)C)C)C)C)C)C
• Title of publication: Synthesis and Electrocatalytic Property of Diiron Hydride Complexes Derived from a Thiolate-Bridged Diiron Complex.
• Authors of publication: Yang, Dawei; Li, Yang; Wang, Baomin; Zhao, Xiangyu; Su, Linan; Chen, Si; Tong, Peng; Luo, Yi; Qu, Jingping
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10243 - 10249
• a: 15.595 ± 0.014 Å
• b: 26.18 ± 0.02 Å
• c: 13.761 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5618 ± 8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No