Information card for entry 4301145

Structure parameters

• Formula: C26 H23 As I3 Ir O
• Calculated formula: C26 H23 As I3 Ir O
• Title of publication: Identification of the Reactive cis,mer Isomer of [Ir(CO)2I3Me]-: Relation to the Mechanism of Iridium-Catalyzed Methanol Carbonylation
• Authors of publication: Anthony Haynes; Anthony J. H. M. Meijer; James R. Lyons; Harry Adams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 28 - 35
• a: 10.316 ± 0.003 Å
• b: 12.214 ± 0.004 Å
• c: 12.463 ± 0.004 Å
• α: 72.067 ± 0.005°
• β: 85.988 ± 0.005°
• γ: 69.33 ± 0.005°
• Cell volume: 1396.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No