Information card for entry 4314145

Structure parameters

• Formula: C3 H3 I2 Ir O2
• Calculated formula: C3 H3 I2 Ir O2
• Title of publication: Isolation and Structural Characterization of Anionic and Neutral Compounds Resulting from the Oxidative Addition of HI or CH~3~I to [IrI~2~(CO)~2~]^-^
• Authors of publication: Samuel Gautron; Robert Giordano; Carole Le Berre; Joël Jaud; Jean-Claude Daran; Philippe Serp; Philippe Kalck
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5523 - 5530
• a: 6.6629 ± 0.0018 Å
• b: 7.6766 ± 0.0019 Å
• c: 8.71 ± 0.002 Å
• α: 102.94 ± 0.02°
• β: 110.72 ± 0.03°
• γ: 90.52 ± 0.02°
• Cell volume: 404.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No