Information card for entry 7713576

Structure parameters

• Formula: C32 H42 Br2 N6 O4 Rh2
• Calculated formula: C32 H42 Br2 N6 O4 Rh2
• 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: 11.9388 ± 0.0008 Å
• b: 9.9973 ± 0.0007 Å
• c: 14.8252 ± 0.001 Å
• α: 90°
• β: 107.146 ± 0.001°
• γ: 90°
• Cell volume: 1690.8 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No