Information card for entry 4065879

Structure parameters

• Formula: C16 H23 Cl F3 Ir N2 O2 S
• Calculated formula: C16 H23 Cl F3 Ir N2 O2 S
• 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: 11.16 ± 0.002 Å
• b: 8.6411 ± 0.0018 Å
• c: 20.518 ± 0.005 Å
• α: 90°
• β: 97.199 ± 0.003°
• γ: 90°
• Cell volume: 1963 ± 0.7 ų
• Cell temperature: 193.1 K
• Ambient diffraction temperature: 193 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: 0.0258
• Weighted residual factors for all reflections included in the refinement: 0.0893
• 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