Information card for entry 7713578

Structure parameters

• Formula: C23 H33 Br N3 O Rh
• Calculated formula: C23 H33 Br N3 O Rh
• Title of publication: β-(Z)-Selective Alkyne Hydrosilylation by a N,O-Functionalized NHC-based Rhodium(I) Catalyst
• Authors of publication: Jiménez, M. Victoria; González-Lainez, Miguel; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.5969 ± 0.0009 Å
• b: 11.0481 ± 0.0011 Å
• c: 24.128 ± 0.002 Å
• α: 90°
• β: 98.62 ± 0.002°
• γ: 90°
• Cell volume: 2265.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No