Information card for entry 7008346

Structure parameters

• Formula: C56 H48 Cl2 N2 P2 Ru S2
• Calculated formula: C56 H48 Cl2 N2 P2 Ru S2
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=c2n1ccn2C)(C#[S])/C(=C/c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Sigma-organyl complexes of ruthenium and osmium supported by a mixed-donor ligand.
• Authors of publication: Wilton-Ely, James D E T; Honarkhah, Sanaz J.; Wang, Ming; Tocher, Derek A.; Slawin, Alexandra M. Z.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 1930 - 1939
• a: 10.9391 ± 0.0007 Å
• b: 12.3109 ± 0.0007 Å
• c: 19.1341 ± 0.0011 Å
• α: 104.069 ± 0.001°
• β: 100.56 ± 0.001°
• γ: 97.95 ± 0.001°
• Cell volume: 2411.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No