Information card for entry 4314148

Structure parameters

• Formula: C40 H35 Cl2 I3 Ir N O2 P2
• Calculated formula: C40 H35 Cl2 I3 Ir N O2 P2
• 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: 10.6554 ± 0.0005 Å
• b: 26.6621 ± 0.0014 Å
• c: 14.9769 ± 0.0009 Å
• α: 90 ± 0.004°
• β: 98.809 ± 0.004°
• γ: 90 ± 0.004°
• Cell volume: 4204.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No