Information card for entry 7053430

Structure parameters

• Formula: C23.5 H18 Cl F3 N2 O4 P Rh S
• Calculated formula: C23.5 H18 Cl F3 N2 O4 P Rh S
• Title of publication: Improving intramolecular hydroamination Rh(i) and Ir(i) catalysts through targeted ligand modification
• Authors of publication: Beeren, Sophie R.; Dabb, Serin L.; Edwards, Gavin; Smith, Matthew K.; Willis, Anthony C.; Messerle, Barbara A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1200
• a: 10.5808 ± 0.0001 Å
• b: 20.0102 ± 0.0003 Å
• c: 12.2975 ± 0.0002 Å
• α: 90°
• β: 100.372 ± 0.001°
• γ: 90°
• Cell volume: 2561.13 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No