Information card for entry 7008348

Structure parameters

• Formula: C49 H44 Cl4 N2 O P2 Ru S
• Calculated formula: C49 H44 Cl4 N2 O P2 Ru S
• SMILES: [Ru]1(Sc2[n]1ccn2C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])c1ccccc1.ClCCl.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: 23.5333 ± 0.0018 Å
• b: 10.4216 ± 0.0008 Å
• c: 19.0208 ± 0.0015 Å
• α: 90°
• β: 100.477 ± 0.001°
• γ: 90°
• Cell volume: 4587.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No