Information card for entry 7131782

Structure parameters

• Formula: C21 H21 F3 Ir N3 O5 S
• Calculated formula: C21 H21 F3 Ir N3 O5 S
• Title of publication: An ambient pressure, direct hydrogenation of ketones.
• Authors of publication: Zhang, Long; Lu, Zhiyao; Rander, Andrew R.; Williams, Travis J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 52
• Pages of publication: 8107 - 8110
• a: 7.824 ± 0.002 Å
• b: 10.972 ± 0.003 Å
• c: 14.212 ± 0.004 Å
• α: 95.459 ± 0.005°
• β: 94.385 ± 0.005°
• γ: 98.09 ± 0.005°
• Cell volume: 1197.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No