Information card for entry 4118007

Structure parameters

• Common name: jongc02
• Chemical name: Tp'Rh(CNneopentyl)(CCPh)Cl
• Formula: C29 H38 B Cl N7 Rh
• Calculated formula: C29 H38 B Cl N7 Rh
• Title of publication: C-H Activation of Terminal Alkynes by Tris-(3,5-dimethylpyrazolyl)boraterhodiumneopentylisocyanide: New Metal-Carbon Bond Strengths
• Authors of publication: Gyeongshin Choi; James Morris; William W. Brennessel; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9276 - 9284
• a: 8.0127 ± 0.0006 Å
• b: 13.3358 ± 0.001 Å
• c: 13.9706 ± 0.0011 Å
• α: 90°
• β: 93.238 ± 0.002°
• γ: 90°
• Cell volume: 1490.5 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No