Information card for entry 7027077

Structure parameters

• Formula: C10 H5 F6 P
• Calculated formula: C10 H5 F6 P
• SMILES: P(c1ccccc1)(C(=C(F)F)F)C(=C(F)F)F
• Title of publication: Synthesis and co-ordination chemistry of perfluorovinyl phosphine derivatives. Single crystal structures of PPh(CFCF2)2, cis-[PtCl2{PPh2(CFCF2)}2] and [{AuCl[PPh2(CFCF2)]}2]
• Authors of publication: Banger, Kulbinder K.; Banham, Russell P.; Brisdon, Alan K.; Cross, Wendy I.; Damant, Greame; Parsons, Simon; Pritchard, Robin G.; Sousa-Pedrares, Antonio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 427
• a: 7.486 ± 0.002 Å
• b: 26.719 ± 0.007 Å
• c: 10.717 ± 0.003 Å
• α: 90°
• β: 90.22 ± 0.03°
• γ: 90°
• Cell volume: 2143.6 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.0899
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No