Information card for entry 4323042

Structure parameters

• Formula: C20 H0 I6 Ir2
• Calculated formula: C20 I6 Ir2
• Title of publication: Regioselective Phosphine Addition to [(η5-C5Me5)Ir(η5-oxocyclohexadienyl)]+ and X-ray Structure of the Stable Phenol Tautomer Complex [(η5-C5Me5)Ir(η4-exo-2-(PMe3)C6H5O)]+: A Key Intermediate for the Nucleophilic Phenol Functionalization Reaction
• Authors of publication: J. Le Bras; H. Amouri; J. Vaissermann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 5056 - 5060
• a: 15.533 ± 0.003 Å
• b: 8.374 ± 0.001 Å
• c: 23.541 ± 0.004 Å
• α: 90°
• β: 100.89 ± 0.01°
• γ: 90°
• Cell volume: 3006.9 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0443
• Goodness-of-fit parameter for significantly intense reflections: 1.1389
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No