Information card for entry 2211720

Structure parameters

• Chemical name: [(R)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl-κ^2^P,P']chlorohydrido{(S)- 2-methyl-1-[(4R,5R)-4-methyl-5-phenyl-4,5-dihydrooxazol-2-yl]propan-1- amineκ^2^N,N'}ruthenium(II) benzene solvate
• Formula: C64 H59 Cl N2 O P2 Ru
• Calculated formula: C64 H59 Cl N2 O P2 Ru
• SMILES: [RuH]12(Cl)([P](c3ccc4ccccc4c3c3c([P]1(c1ccccc1)c1ccccc1)ccc1ccccc31)(c1ccccc1)c1ccccc1)[NH2][C@H](C1O[C@@H]([C@H]([N]2=1)C)c1ccccc1)C(C)C.c1ccccc1
• Title of publication: [(<i>R</i>)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl-κ^2^<i>P</i>,<i>P</i>']chlorohydrido{(<i>S</i>)-2-methyl-1-[(4<i>R</i>,5<i>R</i>)-4-methyl-5-phenyl-4,5-dihydrooxazol-2-yl]propan-1-amine-κ^2^<i>N</i>,<i>N</i>'}ruthenium(II) benzene solvate: an active ketone hydrogenation catalyst
• Authors of publication: Abdur-Rashid, Kamaluddin; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m246 - m248
• a: 24.95 ± 0.0006 Å
• b: 10.737 ± 0.0003 Å
• c: 19.456 ± 0.0004 Å
• α: 90°
• β: 96.978 ± 0.0016°
• γ: 90°
• Cell volume: 5173.4 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes