Information card for entry 4065957

Structure parameters

• Formula: C54 H51 Cl2 N O P2 Ru S2
• Calculated formula: C54 H51 Cl2 N O P2 Ru S2
• SMILES: [Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([S]=C(S1)N(CC=C)CC=C)(/C=C/c1ccc(cc1)C)C#[O].C(Cl)Cl
• Title of publication: Multifunctional Dithiocarbamates: Synthesis and Ring-Closing Metathesis of Diallyldithiocarbamate Complexes
• Authors of publication: Naeem, Saira; White, Andrew J. P.; Hogarth, Graeme; Wilton-Ely, James D. E. T.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2547
• a: 11.9308 ± 0.0004 Å
• b: 13.4909 ± 0.0004 Å
• c: 17.5672 ± 0.0005 Å
• α: 109.806 ± 0.003°
• β: 109.393 ± 0.003°
• γ: 93.684 ± 0.002°
• Cell volume: 2459.09 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No