Information card for entry 4065874

Structure parameters

• Formula: C14 H19 Cl F3 N2 O2 Rh S
• Calculated formula: C14 H19 Cl F3 N2 O2 Rh S
• SMILES: [Rh]12345(Cl)(N(S(=O)(=O)C(F)(F)F)CC[c]61[c]2([c]3([c]4([c]56C)C)C)C)[N]#CC
• Title of publication: Bifunctional Triflylamide-Tethered Cp′Rh and Cp′Ir Complexes: A New Entry for Asymmetric Hydrogenation Catalysts
• Authors of publication: Ito, Masato; Endo, Yoshinori; Tejima, Noriko; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2397
• a: 9.455 ± 0.005 Å
• b: 14.086 ± 0.007 Å
• c: 14.423 ± 0.008 Å
• α: 76.758 ± 0.013°
• β: 87.957 ± 0.016°
• γ: 85.835 ± 0.012°
• Cell volume: 1864.5 ± 1.7 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No