Information card for entry 4340153

Structure parameters

• Formula: C27 H23 As I3 Ir O2
• Calculated formula: C26.999 H23 As I3 Ir O1.999
• 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: 10.5278 ± 0.0015 Å
• b: 12.0524 ± 0.0017 Å
• c: 12.4234 ± 0.0017 Å
• α: 71.549 ± 0.002°
• β: 85.826 ± 0.002°
• γ: 70.565 ± 0.002°
• Cell volume: 1409.2 ± 0.3 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 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: 0.0733
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No