Information card for entry 4332019

Structure parameters

• Common name: EISMJ02
• Formula: C28 H47 I2 Ir O P2
• Calculated formula: C27.9664 H46.8992 I2 Ir O P2
• Title of publication: Highly Diastereoselective Oxidative Addition of Methyl Iodide to a Chiral Square-Planar Complex
• Authors of publication: Janka, Mesfin; Atesin, Abdurrahman Ç.; Fox, Daniel J.; Flaschenriem, Christine; Brennessel, William W.; Eisenberg, Richard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6559 - 6561
• a: 10.6355 ± 0.0004 Å
• b: 11.1126 ± 0.0004 Å
• c: 26.7012 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3155.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0146
• Residual factor for significantly intense reflections: 0.0137
• Weighted residual factors for significantly intense reflections: 0.0308
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No