Information card for entry 4301144

Structure parameters

• Formula: C28 H27 As I4 Ir2 O3
• Calculated formula: C28 H27 As I4 Ir2 O3
• SMILES: [As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.I[Ir]12(I[Ir](I)(I1)([OH]2)(C#[O])C)(C#[O])C
• 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: 11.08 ± 0.002 Å
• b: 12.21 ± 0.002 Å
• c: 14.08 ± 0.003 Å
• α: 77.14 ± 0.03°
• β: 72.89 ± 0.03°
• γ: 81.07 ± 0.03°
• Cell volume: 1766.6 ± 0.7 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: 0.0735
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No