Information card for entry 4340152

Structure parameters

• Formula: C28 H23 As I3 Ir O3
• Calculated formula: C28 H23 As I3 Ir O3
• SMILES: [As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C([Ir](C#[O])(C(=O)C)(I)(I)I)#[O]
• Title of publication: Photochemical and time resolved spectroscopic studies of intermediates relevant to iridium-catalyzed methanol carbonylation: photoinduced CO migratory insertion.
• Authors of publication: Volpe, Maurizio; Wu, Guang; Iretskii, Alexei; Ford, Peter C.
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1861 - 1870
• a: 10.885 ± 0.005 Å
• b: 13.069 ± 0.006 Å
• c: 13.452 ± 0.007 Å
• α: 63.893 ± 0.007°
• β: 66.249 ± 0.007°
• γ: 85.134 ± 0.008°
• Cell volume: 1562.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No