Information card for entry 1516575

Structure parameters

• Chemical name: [Rh(XantPhos)(H2BCH2CH2SiME3NMe3)][BArF4]
• Formula: C79 H68 B2 F24 N O P2 Rh Si
• Calculated formula: C79 H68 B2 F24 N O P2 Rh Si
• Title of publication: Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+
• Authors of publication: Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3486
• a: 16.6243 ± 0.0005 Å
• b: 16.8939 ± 0.0005 Å
• c: 17.7667 ± 0.0007 Å
• α: 110.65 ± 0.0011°
• β: 107.187 ± 0.0012°
• γ: 106.29 ± 0.002°
• Cell volume: 4026.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for all reflections: 0.2043
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9482
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No