Information card for entry 7219028

Structure parameters

• Formula: C12 H24 F6 K O6 P
• Calculated formula: C12 H24 F6 K O6 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.
• Authors of publication: Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 2838 - 2849
• a: 7.84 ± 0.003 Å
• b: 10.813 ± 0.005 Å
• c: 11.426 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 968.6 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No