Information card for entry 7231993

Structure parameters

• Formula: C37 H54 Cl N2 P2 Rh
• Calculated formula: C37 H54 Cl N2 P2 Rh
• Title of publication: Selective formylation or methylation of amines using carbon dioxide catalysed by a rhodium perimidine-based NHC complex
• Authors of publication: Lam, Raphael H.; McQueen, Caitlin M. A.; Pernik, Indrek; McBurney, Roy T.; Hill, Anthony F.; Messerle, Barbara A.
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 3
• Pages of publication: 538
• a: 26.6194 ± 0.0004 Å
• b: 26.6194 ± 0.0004 Å
• c: 27.22 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16703.8 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1208
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9753
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No