Information card for entry 4072295

Structure parameters

• Formula: C32 H33 F3 N4 O4 Ru S2
• Calculated formula: C32 H33 F3 N4 O4 Ru S2
• SMILES: [Ru]1234567(N(S(=O)(=O)C(F)(F)F)CC[c]82[cH]3[cH]4[cH]5[cH]6[cH]78)[NH2][C@H]([C@@H](N1S(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1.N#CC
• Title of publication: Well-Defined Triflylamide-Tethered Arene−Ru(Tsdpen) Complexes for Catalytic Asymmetric Hydrogenation of Ketones
• Authors of publication: Ito, Masato; Endo, Yoshinori; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6053
• a: 10.3427 ± 0.0018 Å
• b: 13.9319 ± 0.0018 Å
• c: 11.2884 ± 0.0019 Å
• α: 90°
• β: 99.369 ± 0.01°
• γ: 90°
• Cell volume: 1604.9 ± 0.4 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No