Information card for entry 7012144

Structure parameters

• Formula: C34 H24 Cl4 Ru2 S4
• Calculated formula: C34 H24 Cl4 Ru2 S4
• SMILES: [Ru]1234567([Ru]89%10%11([S]1c1ccc(Cl)cc1)([S]2c1ccc(Cl)cc1)(Sc1ccc(Cl)cc1)[c]1([c]23[cH]4[cH]5[cH]6[cH]72)[cH]8[cH]9[cH]%10[cH]%111)Sc1ccc(Cl)cc1
• Title of publication: Synthesis of the first non-carbonyl cisoid fulvalene complexes with an Ru–Ru bond bridged by thiolate ligands
• Authors of publication: Watanabe, Masanobu; Sato, Masaru; Kai, Masahiro
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 651
• a: 7.113 ± 0.0004 Å
• b: 13.243 ± 0.001 Å
• c: 19.248 ± 0.002 Å
• α: 106.481 ± 0.004°
• β: 95.341 ± 0.006°
• γ: 99.585 ± 0.004°
• Cell volume: 1695.4 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No