Information card for entry 4314146

Structure parameters

• Formula: C38 H30 I2 Ir N O2 P2
• Calculated formula: C38 H30 I2 Ir N O2 P2
• SMILES: [Ir](I)(I)(C#[O])C#[O].[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 10.0352 ± 0.0015 Å
• b: 17.363 ± 0.002 Å
• c: 21.899 ± 0.003 Å
• α: 76.12 ± 0.01°
• β: 88.43 ± 0.01°
• γ: 80.46 ± 0.01°
• Cell volume: 3652.8 ± 0.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No