Information card for entry 4127064

Structure parameters

• Chemical name: [Rh(iPrXant)(nbd)][BArF4]
• Formula: C66 H60 B F24 O P2 Rh
• Calculated formula: C66 H60 B F24 O P2 Rh
• Title of publication: Dehydropolymerization of H3B·NMeH2 To Form Polyaminoboranes Using [Rh(Xantphos-alkyl)] Catalysts.
• Authors of publication: Adams, Gemma M.; Colebatch, Annie L.; Skornia, Joseph T.; McKay, Alasdair I.; Johnson, Heather C.; Lloyd Jones, Guy C.; Macgregor, Stuart A.; Beattie, Nicholas A.; Weller, Andrew S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 22.8626 ± 0.0002 Å
• b: 25.0729 ± 0.0002 Å
• c: 24.0283 ± 0.0002 Å
• α: 90°
• β: 106.58 ± 0.0009°
• γ: 90°
• Cell volume: 13201.1 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0572
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1222
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9798
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No