Information card for entry 7025494

Structure parameters

• Formula: C6 F15 P
• Calculated formula: C6 F15 P
• SMILES: C(C(F)(F)F)(F)(F)P(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F
• Title of publication: Molecular structure of tris(pentafluoroethyl)phosphane P(C2F5)3.
• Authors of publication: Hayes, Stuart A.; Berger, Raphael J. F.; Neumann, Beate; Mitzel, Norbert W.; Bader, Julia; Hoge, Berthold
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 24
• Pages of publication: 5630 - 5636
• a: 13.459 ± 0.0004 Å
• b: 13.459 ± 0.0004 Å
• c: 10.811 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1695.99 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No