Information card for entry 4100762

Structure parameters

• Formula: C16 H24 F5 I Ir P
• Calculated formula: C16 H24 F5 I Ir P
• SMILES: [Ir]1234(I)([P](C)(C)C)(C(=C(F)F)C(F)(F)F)[c]5([c]1([c]2([c]3([c]45C)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: 8.7338 ± 0.0012 Å
• b: 12.7194 ± 0.0017 Å
• c: 18.17 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2018.5 ± 0.5 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No