Information card for entry 4332017

Structure parameters

• Common name: eisaa02
• Formula: C28 H44 F6 Ir O2 P2 Sb
• Calculated formula: C28 H44 F6 Ir O2 P2 Sb
• SMILES: [Ir]1([P]2([C@H](C(C)C)CC[C@H]2C(C)C)c2ccccc2[P]21[C@H](C(C)C)CC[C@H]2C(C)C)(C#[O])C#[O].[Sb](F)(F)(F)(F)([F-])F
• 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: 8.7159 ± 0.0018 Å
• b: 11.833 ± 0.002 Å
• c: 31.627 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3261.9 ± 1.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0361
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No