Information card for entry 4069707

Structure parameters

• Formula: C28 H48 Cl P Ru
• Calculated formula: C28 H48 Cl P Ru
• SMILES: [RuH]12345(Cl)([P](C6CCCCC6)(C6CCCCC6)C6CCCCC6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C
• 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: 9.8265 ± 0.0005 Å
• b: 10.6166 ± 0.0006 Å
• c: 25.9342 ± 0.0014 Å
• α: 90°
• β: 91.287 ± 0.004°
• γ: 90°
• Cell volume: 2704.9 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No