Information card for entry 4121060

Structure parameters

• Common name: jonyj13
• Formula: C18 H32 B Cl N6 P Rh
• Calculated formula: C18 H31 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: 11.0116 ± 0.0013 Å
• b: 16.6614 ± 0.0019 Å
• c: 13.1452 ± 0.0015 Å
• α: 90°
• β: 110.998 ± 0.002°
• γ: 90°
• Cell volume: 2251.6 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No