Information card for entry 7008993

Structure parameters

• Formula: C24 H24 Cl2 F6 P2 Pt
• Calculated formula: C24 H24 Cl2 F6 P2 Pt
• SMILES: [Pt](Cl)(Cl)([P](CC)(CC)CC)[P](c1c(F)cccc1F)(c1c(F)cccc1F)c1c(F)cccc1F
• 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: 13.253 ± 0.002 Å
• b: 10.866 ± 0.001 Å
• c: 19.356 ± 0.003 Å
• α: 90°
• β: 103.19 ± 0.01°
• γ: 90°
• Cell volume: 2713.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.0934
• Goodness-of-fit parameter for all reflections: 0.903
• Goodness-of-fit parameter for significantly intense reflections: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No