Information card for entry 4115625

Structure parameters

• Common name: Tp'Rh(CNneopentyl)(ethyl)Cl
• Formula: C23 H38 B Cl N7 Rh
• Calculated formula: C23 H38 B Cl N7 Rh
• SMILES: [Rh]12([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)(Cl)(CC)C#[N]CC(C)(C)C
• Title of publication: Investigation of the Mechanism of Alkane Reductive Elimination and Skeletal Isomerization in Tp'Rh(CNneopentyl)(R)H Complexes: The Role of Alkane Complexes
• Authors of publication: Todd O. Northcutt; Douglas D. Wick; Andrew J. Vetter; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 7257 - 7270
• a: 11.168 ± 0.0015 Å
• b: 15.415 ± 0.003 Å
• c: 16.456 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2833 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.0843
• Goodness-of-fit parameter for all reflections: 0.616
• Goodness-of-fit parameter for significantly intense reflections: 0.594
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No