Information card for entry 4120183

Structure parameters

• Formula: C20 H38 B F4 I N P2 Rh
• Calculated formula: C20 H38 B F4 I N P2 Rh
• SMILES: [Rh]12(I)([n]3c(C[P]2(C(C)C)C(C)C)cccc3C[P]1(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: 7.8269 ± 0.0002 Å
• b: 11.2717 ± 0.0003 Å
• c: 30.4115 ± 0.0008 Å
• α: 87.5844 ± 0.001°
• β: 87.4471 ± 0.0012°
• γ: 74.2329 ± 0.0011°
• Cell volume: 2578.21 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No