Information card for entry 4066559

Structure parameters

• Formula: C28 H42 B N3 O7 P Rh
• Calculated formula: C28 H42 B N3 O7 P Rh
• Title of publication: Reactions of Tris(oxazolinyl)phenylborato Rhodium(I) with C−X (X = Cl, Br, OTf) Bonds: Stereoselective Intermolecular Oxidative Addition
• Authors of publication: Ho, Hung-An; Dunne, James F.; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4105
• a: 12.0774 ± 0.0007 Å
• b: 13.9002 ± 0.0008 Å
• c: 19.2172 ± 0.0012 Å
• α: 90°
• β: 90.164 ± 0.001°
• γ: 90°
• Cell volume: 3226.1 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No