Information card for entry 7012146

Structure parameters

• Formula: C40 H50 F6 P2 Ru2 S3
• Calculated formula: C40 H50 F6 P2 Ru2 S3
• SMILES: [Ru]1234567([Ru]89%10%11([S]1C(C)(C)C)([S]2C(C)(C)C)[c]1([c]23[cH]4[cH]5[cH]6[cH]72)[cH]8[cH]9[cH]%10[cH]%111)[P](c1ccccc1)(c1ccccc1)c1ccccc1.SC(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 10.894 ± 0.0009 Å
• b: 12.492 ± 0.001 Å
• c: 17.162 ± 0.002 Å
• α: 77.769 ± 0.003°
• β: 87.894 ± 0.004°
• γ: 72.83 ± 0.04°
• Cell volume: 2180 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.142
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections: 0.152
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections: 1.568
• Goodness-of-fit parameter for significantly intense reflections: 1.294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No