Information card for entry 1513082

Structure parameters

• Formula: C12 H26 F6 Na O6 P
• Calculated formula: C12 H26 F6 Na O6 P
• SMILES: [P]([F][Na]12345[O](C)CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5C)(F)(F)(F)(F)F
• Title of publication: Phase diagrams and solvate structures of binary mixtures of glymes and na salts.
• Authors of publication: Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 48
• Pages of publication: 15072 - 15085
• a: 9.568 ± 0.003 Å
• b: 17.117 ± 0.006 Å
• c: 12.039 ± 0.004 Å
• α: 90°
• β: 96.437 ± 0.004°
• γ: 90°
• Cell volume: 1959.3 ± 1.1 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No