Information card for entry 4123232

Structure parameters

• Formula: C28 H32 B F11 N8 P Rh
• Calculated formula: C28 H32 B F11 N8 P Rh
• SMILES: [BH]12n3c(cc(C)[n]3[Rh](c3c(c(c(c(F)n3)F)F)F)(F)([n]3c(C)cc(C)n13)([n]1c(C)cc(C)n21)[P](C)(C)C)C.F.c1(c(c(c(c(F)n1)F)F)F)F
• 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: 34.3584 ± 0.0013 Å
• b: 8.5376 ± 0.0003 Å
• c: 22.8054 ± 0.0009 Å
• α: 90°
• β: 99.322 ± 0.004°
• γ: 90°
• Cell volume: 6601.3 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No