Information card for entry 7008349

Structure parameters

• Formula: C49 H40 N2 O P2 Ru S
• Calculated formula: C49 H40 N2 O P2 Ru S
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Sc2[n]1ccn2C)(C#[O])C#Cc1ccccc1
• 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: 14.773 ± 0.003 Å
• b: 15.086 ± 0.004 Å
• c: 19.255 ± 0.005 Å
• α: 90°
• β: 109.123 ± 0.004°
• γ: 90°
• Cell volume: 4054.5 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 0.73
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No