Information card for entry 7028179

Structure parameters

• Formula: C26 H29 Cl2 F4 Ir O P
• Calculated formula: C26 H29 Cl2 F4 Ir O P
• Title of publication: Carbon‒fluorine bond activation in the reactions between 1,2-bis[bis(2,6-difluorophenyl)phosphino]ethane and [{MCl(μ-Cl)(η5-C5Me5)}2] (M = Rh or Ir)
• Authors of publication: Fawcett, John; Friedrichs, Steffi; Holloway, John H.; Hope, Eric G.; McKee, Vickie; Nieuwenhuyzen, Mark; Russell, David R.; Saunders, Graham C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 9
• Pages of publication: 1477
• a: 9.983 ± 0.002 Å
• b: 16.22 ± 0.005 Å
• c: 16.605 ± 0.003 Å
• α: 90°
• β: 99.95 ± 0.03°
• γ: 90°
• Cell volume: 2648.3 ± 1.1 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections: 0.1902
• Weighted residual factors for significantly intense reflections: 0.145
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No