Information card for entry 7028178

Structure parameters

• Formula: C26 H16 F8 P2
• Calculated formula: C26 H16 F8 P2
• SMILES: P(c1c(cccc1F)F)(CCP(c1c(cccc1F)F)c1c(cccc1F)F)c1c(F)cccc1F
• 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: 7.372 ± 0.001 Å
• b: 9.458 ± 0.001 Å
• c: 9.846 ± 0.001 Å
• α: 117.15 ± 0.01°
• β: 93.32 ± 0.01°
• γ: 98.07 ± 0.01°
• Cell volume: 598.99 ± 0.14 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.1209
• Goodness-of-fit parameter for all reflections: 1.175
• Goodness-of-fit parameter for significantly intense reflections: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No