Information card for entry 2222401

Structure parameters

• Chemical name: Bis[(1<i>S</i>*,2<i>S</i>*)-<i>trans</i>-1,2- bis(diphenylphosphinoxy)cyclohexane]chloridoruthenium(II) trifluoromethanesulfonate dichloromethane disolvate
• Formula: C63 H64 Cl5 F3 O7 P4 Ru S
• Calculated formula: C63 H64 Cl5 F3 O7 P4 Ru S
• SMILES: [Ru]12(Cl)([P](O[C@H]3CCCC[C@@H]3O[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](O[C@H]1CCCC[C@@H]1O[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.S(=O)(=O)([O-])C(F)(F)F.[Ru]12(Cl)([P](O[C@@H]3CCCC[C@H]3O[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](O[C@@H]1CCCC[C@H]1O[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Bis[(1<i>S</i>*,2<i>S</i>*)-<i>trans</i>-1,2-bis(diphenylphosphinoxy)cyclohexane]chloridoruthenium(II) trifluoromethanesulfonate dichloromethane disolvate
• Authors of publication: Clark, George R.; Lensink, Cornelis; Slade, Angela T.; Wright, L. James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m804 - m805
• a: 16.7887 ± 0.0005 Å
• b: 22.9766 ± 0.0006 Å
• c: 32.6782 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12605.5 ± 0.6 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes