Information card for entry 4062237

Structure parameters

• Formula: C24 H31 Ir O3 P2
• Calculated formula: C24 H31 Ir O3 P2
• SMILES: [Ir]12([P](C)(C)C)([P](C)(C)C)(OOC(C(=C1c1ccccc1)c1ccccc1)C=C2)C#[O]
• Title of publication: Synthesis, structure, and spectroscopy of a family of iridabenzenes generated by the reaction of Vaska-type complexes with a nucleophilic 3-vinyl-1-cyclopropene.
• Authors of publication: Haley, Michael M.; Gilbertson, Robert D.; Lau, Thomas L.S; Lanza, Seren; Wu, He-Ping; Weakley, Timothy J.R.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 9.248 ± 0.004 Å
• b: 12.4422 ± 0.0013 Å
• c: 21.713 ± 0.003 Å
• α: 90°
• β: 90.98 ± 0.02°
• γ: 90°
• Cell volume: 2498.2 ± 0.8 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No