Information card for entry 4068814

Structure parameters

• Formula: C21 H37 Br Cl Ir O10 P2
• Calculated formula: C21 H37 Br Cl Ir O10 P2
• SMILES: [Ir](Br)(Cl)([P](C)(C)C)([P](C)(C)C)(C#[O])[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: Oxidative Addition of Glycosylbromides totrans-Ir(PMe3)2(CO)Cl
• Authors of publication: Pelczar, Elizabeth M.; Munro-Leighton, Colleen; Gagné, Michel R.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 663
• a: 8.5934 ± 0.0003 Å
• b: 17.8502 ± 0.0006 Å
• c: 10.5847 ± 0.0003 Å
• α: 90°
• β: 113.32 ± 0.002°
• γ: 90°
• Cell volume: 1490.99 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No