Information card for entry 4100763

Structure parameters

• Formula: C17 H24 F4 Ir P
• Calculated formula: C17 H24 F4 Ir P
• SMILES: [Ir]12345([P](C)(C)C)(C(=C(F)F)C1=C(F)F)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Reductive Activation of Carbon-Fluorine Bonds in Perfluoroalkyl Ligands: An Unexpected Route to the Only Known Tetrafluorobutatriene Transition Metal Complex: Ir(η5-C5Me5)(PMe3)(2,3-η2-CF2CCCF2)
• Authors of publication: Russell P. Hughes; Roman B. Laritchev; Lev N. Zakharov; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2308 - 2309
• a: 14.8099 ± 0.0008 Å
• b: 10.7468 ± 0.0006 Å
• c: 12.6011 ± 0.0007 Å
• α: 90°
• β: 110.006 ± 0.0011°
• γ: 90°
• Cell volume: 1884.56 ± 0.18 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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