Information card for entry 7008345

Structure parameters

• Formula: C50 H44 N2 O P2 Ru S
• Calculated formula: C50 H44 N2 O P2 Ru S
• SMILES: [Ru]1(Sc2n(cc[n]12)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(/C=C/c1ccc(cc1)C)C#[O]
• 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: 22.696 ± 0.004 Å
• b: 17.373 ± 0.003 Å
• c: 23.941 ± 0.005 Å
• α: 90°
• β: 115.104 ± 0.004°
• γ: 90°
• Cell volume: 8548 ± 3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No