Information card for entry 7032724

Structure parameters

• Formula: C60 H76 Cl2 O13 P2 Ru
• Calculated formula: C60 H76 Cl2 O13 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](O[C@@H]3[C@H]4OC5(O[C@H]4[C@@H]4OC6(O[C@@H]4[C@H]3[O]1C)CCCC6)CCCC5)(c1ccccc1)c1ccccc1)[P](O[C@@H]1[C@H]3OC4(O[C@H]3[C@@H]3OC5(O[C@@H]3[C@H]1[O]2C)CCCC5)CCCC4)(c1ccccc1)c1ccccc1.OCC
• Title of publication: Ruthenium and osmium complexes of hemilabile chiral monophosphinite ligands derived from 1D-pinitol or 1D-chiro-inositol as catalysts for asymmetric hydrogenation reactions.
• Authors of publication: Slade, Angela T.; Lensink, Cornelis; Falshaw, Andrew; Clark, George R.; Wright, L. James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17163 - 17171
• a: 11.576 ± 0.0002 Å
• b: 11.9927 ± 0.0002 Å
• c: 12.0811 ± 0.0002 Å
• α: 104.793 ± 0.001°
• β: 115.37 ± 0.001°
• γ: 91.577 ± 0.001°
• Cell volume: 1447.1 ± 0.05 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No