Information card for entry 4119723

Structure parameters

• Common name: jonyj32
• Chemical name: Tp'Rh(CNneopentyl)(CH2O-t-Bu)Cl
• Formula: C26 H44 B Cl N7 O Rh
• Calculated formula: C26 H44 B Cl N7 O Rh
• Title of publication: Rhodium-Carbon Bond Energies in Tp'Rh(CNneopentyl)(CH2X)H: Quantifying Stabilization Effects in M-C Bonds
• Authors of publication: Yunzhe Jiao; Meagan E. Evans; 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: 6994 - 7004
• a: 15.4424 ± 0.0013 Å
• b: 19.1316 ± 0.0016 Å
• c: 10.2475 ± 0.0009 Å
• α: 90°
• β: 93.747 ± 0.002°
• γ: 90°
• Cell volume: 3021 ± 0.4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1282
• 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