Information card for entry 7104702

Structure parameters

• Formula: C26 H27 F6 P Ru
• Calculated formula: C26 H27 F6 P Ru
• SMILES: [Ru]123456789([c]%10%11c(ccc[c]5%11[cH]4[cH]3[cH]2[cH]1%10)c1ccccc1)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis of highly enantiomerically enriched planar chiral ruthenium complexes via Pd-catalysed asymmetric hydrogenolysis.
• Authors of publication: Mercier, Audrey; Yeo, Wee Chuan; Chou, Jingyu; Chaudhuri, Piyali Datta; Bernardinelli, Gérald; Kündig, E Peter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 35
• Pages of publication: 5227 - 5229
• a: 7.1897 ± 0.0003 Å
• b: 16.1402 ± 0.0007 Å
• c: 20.8063 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2414.4 ± 0.2 ų
• Cell temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections included in the refinement: 0.02
• Goodness-of-fit parameter for all reflections included in the refinement: 1.35
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No