Information card for entry 4121057

Structure parameters

• Common name: jonyj19
• Formula: C23 H42 B Cl N6 P Rh
• Calculated formula: C23 H42 B Cl N6 P Rh
• 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: 8.2129 ± 0.0006 Å
• b: 10.7768 ± 0.0009 Å
• c: 19.1015 ± 0.0015 Å
• α: 75.071 ± 0.001°
• β: 82.528 ± 0.002°
• γ: 72.3 ± 0.001°
• Cell volume: 1553.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.056
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No