Information card for entry 2202310

Structure parameters

• Formula: C52 H40 O4 P2 Ru2 S2
• Calculated formula: C52 H40 O4 P2 Ru2 S2
• SMILES: C(#[O])[Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([S](c3ccccc3)[Ru]2(C#[O])(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]1c1ccccc1)C#[O]
• Title of publication: <i>syn</i>-Tetracarbonyldi-μ-phenylthiolato-bis[(triphenylphosphine)ruthenium(I)]
• Authors of publication: Shiu, Kom-Bei; Liao, Fen-Ling; Wang, Sue-Lein
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1187 - m1188
• a: 17.2502 ± 0.0009 Å
• b: 24.4253 ± 0.0013 Å
• c: 11.3154 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4767.6 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes