Information card for entry 4069710

Structure parameters

• Formula: C32 H53 Cl4 O2 P Ru2
• Calculated formula: C32 H53 Cl4 O2 P Ru2
• SMILES: [Ru]1234([Cl][Ru]56789([Cl]1)([Cl]2)[c]1([cH]9[cH]8[c]7([cH]6[cH]51)C(C)C)C)(Cl)[P](C1C[CH]3=[CH]4CC1)(C1CCCCC1)C1CCCCC1.O1CCOCC1
• 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: 9.4728 ± 0.0005 Å
• b: 14.6608 ± 0.0009 Å
• c: 14.6925 ± 0.0009 Å
• α: 63.632 ± 0.006°
• β: 76.162 ± 0.005°
• γ: 81.792 ± 0.005°
• Cell volume: 1773.6 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No