Information card for entry 4107614

Structure parameters

• Formula: C17 H22 Br2 P Rh
• Calculated formula: C17 H22 Br2 P Rh
• SMILES: Br[Rh]1234(Br)([cH]5[cH]4[cH]3[cH]2[cH]15)[P]1([C@H](C)CC[C@H]1C)c1ccccc1
• Title of publication: Stereochemical Nonrigidity of a Chiral Rhodium Boryl Hydride Complex: A σ-Borane Complex as Transition State for Isomerization
• Authors of publication: Marius V. Câmpian; Eric Clot; Odile Eisenstein; Ulrike Helmstedt; Naseralla Jasim; Robin N. Perutz; Adrian C. Whitwood; David Williamson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 4375 - 4385
• a: 9.817 ± 0.004 Å
• b: 12.992 ± 0.005 Å
• c: 14.271 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1820.2 ± 1.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No