Information card for entry 7224778

Structure parameters

• Formula: C9 H9 F9 Li O9 P
• Calculated formula: C9 H9 F9 Li O9 P
• SMILES: [Li+].C1(=O)OC(CO1)F.C1(=O)OC(CO1)F.C1(=O)OC(CO1)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Spontaneous aggregation of lithium ion coordination polymers in fluorinated electrolytes for high-voltage batteries.
• Authors of publication: Malliakas, Christos D.; Leung, Kevin; Pupek, Krzysztof Z.; Shkrob, Ilya A.; Abraham, Daniel P.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 10846 - 10849
• a: 13.0094 ± 0.0006 Å
• b: 13.0094 ± 0.0006 Å
• c: 5.5129 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 808.03 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No