Information card for entry 4120185

Structure parameters

• Formula: C20 H38 B Cl F4 N P2 Rh
• Calculated formula: C20 H38 B Cl F4 N P2 Rh
• SMILES: [Rh]12(Cl)([P](Cc3[n]2c(ccc3)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C.[B](F)(F)(F)[F-]
• Title of publication: Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics
• Authors of publication: Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11040 - 11047
• a: 7.7456 ± 0.0003 Å
• b: 29.8765 ± 0.001 Å
• c: 11.2637 ± 0.0004 Å
• α: 90°
• β: 106.398 ± 0.002°
• γ: 90°
• Cell volume: 2500.52 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No