Information card for entry 4069709

Structure parameters

• Formula: C30 H49 Cl6 O P Ru2
• Calculated formula: C30 H49 Cl6 O P Ru2
• SMILES: [Ru]12([Cl][Ru]34567([Cl]1)([Cl]2)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O].ClCCl
• Title of publication: Multifaceted Chemistry of [(Cymene)RuCl2]2and PCy3
• Authors of publication: Solari, Euro; Gauthier, Sébastien; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4519
• a: 10.117 ± 0.015 Å
• b: 18.24 ± 0.03 Å
• c: 20.2 ± 0.02 Å
• α: 90°
• β: 100.04 ± 0.1°
• γ: 90°
• Cell volume: 3671 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1735
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No