Information card for entry 7009937

Structure parameters

• Common name: [C14F30PO2]-[H3O]+
• Formula: C14 H3 F30 O3 P
• Calculated formula: C14 H3 F30 O3 P
• Title of publication: The first crystal and molecular structures of hydrated bis(n-perfluoroalkyl)phosphinic acids [H3O]+[(Rf)2PO2]− (Rf = C6F13, C7F15 or C8F17)
• Authors of publication: Rajendra P. Singh; Brendan Twamley; Jean'ne M. Shreeve
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4089 - 4092
• a: 6.1951 ± 0.0002 Å
• b: 11.1604 ± 0.0003 Å
• c: 18.7348 ± 0.0005 Å
• α: 78.074 ± 0.001°
• β: 89.266 ± 0.001°
• γ: 82.532 ± 0.001°
• Cell volume: 1256.48 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No