Information card for entry 4121048

Structure parameters

• Common name: jonyj27
• Formula: C23 H41 B N6 O0.26 P Rh Si
• Calculated formula: C23 H41 B N6 O0.256 P Rh Si
• Title of publication: Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?
• Authors of publication: Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16198 - 16212
• a: 15.1866 ± 0.0009 Å
• b: 14.0426 ± 0.0008 Å
• c: 26.4214 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5634.6 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No