Information card for entry 7012145

Structure parameters

• Formula: C58 H48 B2 F8 O2 P2 Ru2 S2
• Calculated formula: C58 H46 B2 F8 O2 P2 Ru2 S2
• SMILES: [Ru]1234567([Ru]89%10%11%12([S]1c1ccccc1[S]28)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]23[cH]4[cH]5[cH]6[cH]72)[cH]9[cH]%10[cH]%11[cH]%121)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].Oc1ccc(O)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: 10.5 ± 0.0005 Å
• b: 14.046 ± 0.0007 Å
• c: 20.385 ± 0.001 Å
• α: 94.024 ± 0.002°
• β: 97.434 ± 0.002°
• γ: 107.514 ± 0.002°
• Cell volume: 2824 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.27
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No