Information card for entry 4104735

Structure parameters

• Common name: jonav11
• Chemical name: Tp*Rh(CNneopentyl)(CH2CH2CH2CH2CH2F)Cl
• Formula: C26 H40 B Cl F N7 Rh
• Calculated formula: C26 H40 B Cl F N7 Rh
• Title of publication: Selective C-H Activation of Haloalkanes using a Rhodiumtrispyrazolylborate Complex
• Authors of publication: Andrew J. Vetter; Ryan D. Rieth; William W. Brennessel; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10742 - 10752
• a: 8.8138 ± 0.0007 Å
• b: 10.9244 ± 0.0009 Å
• c: 31.42 ± 0.002 Å
• α: 90°
• β: 90.574 ± 0.001°
• γ: 90°
• Cell volume: 3025.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No