Information card for entry 4123234

Structure parameters

• Formula: C22 H43 B N6 P Rh Si
• Calculated formula: C22 H43 B N6 P Rh Si
• SMILES: [BH]12n3c(cc(C)[n]3[RhH]([n]3c(C)cc(C)n13)([n]1c(C)cc(C)n21)([P](C)(C)C)[SiH](CC)CC)C
• Title of publication: Activation of B-H, Si-H, and C-F Bonds with Tp'Rh(PMe3) Complexes: Kinetics, Mechanism, and Selectivity.
• Authors of publication: Procacci, Barbara; Jiao, Yunzhe; Evans, Meagan E.; Jones, William D.; Perutz, Robin N.; Whitwood, Adrian C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 3
• Pages of publication: 1258 - 1272
• a: 10.8404 ± 0.0007 Å
• b: 11.5332 ± 0.0009 Å
• c: 13.5457 ± 0.0011 Å
• α: 65.602 ± 0.008°
• β: 72.784 ± 0.007°
• γ: 65.226 ± 0.007°
• Cell volume: 1384.8 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No