Information card for entry 4120187

Structure parameters

• Formula: C20 H38 I2 N P2 Rh
• Calculated formula: C20 H38 I2 N P2 Rh
• SMILES: [Rh]12(I)(I)([P](Cc3[n]2c(ccc3)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C
• 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: 14.1006 ± 0.0003 Å
• b: 11.7405 ± 0.0003 Å
• c: 16.5928 ± 0.0003 Å
• α: 90°
• β: 113.672 ± 0.0011°
• γ: 90°
• Cell volume: 2515.78 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No