Information card for entry 4062494

Structure parameters

• Formula: C16 H33 B F4 Ir N P2
• Calculated formula: C16 H33 B F4 Ir N P2
• SMILES: [Ir]123([P](C)(C)C)([P](C)(C)C)([N]#CC)C4CC[CH]1=[CH]2C3CC4.[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: 9.9665 ± 0.0008 Å
• b: 12.3631 ± 0.001 Å
• c: 16.6245 ± 0.0014 Å
• α: 90°
• β: 90.775 ± 0.001°
• γ: 90°
• Cell volume: 2048.2 ± 0.3 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