Information card for entry 4062493

Structure parameters

• Formula: C27 H34 B F4 Ir N P
• Calculated formula: C27 H34 B F4 Ir N P
• SMILES: [Ir]1234([P](C)(C)C)([N]#CC)([CH]5=[CH]1C2C[CH]3=[CH]4CC5)/C(=C/c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Versatility of Cyclooctadiene Ligands in Iridium Chemistry and Catalysis
• Authors of publication: Martín, M.; Sola, E.; Torres, O.; Plou, P.; Oro, L.A.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 16.711 ± 0.003 Å
• b: 13.97 ± 0.003 Å
• c: 11.966 ± 0.002 Å
• α: 90°
• β: 110.471 ± 0.003°
• γ: 90°
• Cell volume: 2617.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No