Information card for entry 4072294

Structure parameters

• Formula: C12 H14 Cl F3 N2 O2 Ru S
• Calculated formula: C12 H14 Cl F3 N2 O2 Ru S
• SMILES: [Ru]123456(Cl)(N(S(=O)(=O)C(F)(F)F)CCC[c]71[cH]2[cH]3[cH]4[cH]5[cH]67)[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: 11.781 ± 0.015 Å
• b: 9.656 ± 0.012 Å
• c: 14.3 ± 0.019 Å
• α: 90°
• β: 105.102 ± 0.016°
• γ: 90°
• Cell volume: 1571 ± 3 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.163
• 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