Information card for entry 7008996

Structure parameters

• Formula: C37 H18 Cl F12 Ir O P2
• Calculated formula: C37 H18 Cl F12 Ir O P2
• Title of publication: Structural and electronic impact of fluorine in the ortho positions of triphenylphosphine and 1,2-bis(diphenylphosphino)ethane; a comparison of 2,6-difluorophenyl- with pentafluorophenyl-phosphines
• Authors of publication: Corcoran, Christopher; Fawcett, John; Friedrichs, Steffi; Holloway, John H.; Hope, Eric G.; Russell, David R.; Saunders, Graham C.; Stuart, Alison M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 161
• a: 16.159 ± 0.002 Å
• b: 12.536 ± 0.003 Å
• c: 16.644 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3371.6 ± 1.1 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No