Information card for entry 7236135

Structure parameters

• Formula: C12 H F8 N S
• Calculated formula: C12 H F8 N S
• Title of publication: Overcharge protection of lithium-ion batteries above 4 V with a perfluorinated phenothiazine derivative
• Authors of publication: Kaur, Aman Preet; Casselman, Matthew D.; Elliott, Corrine F.; Parkin, Sean R.; Risko, Chad; Odom, Susan A.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 5410
• a: 3.7431 ± 0.0002 Å
• b: 14.0603 ± 0.0008 Å
• c: 21.1275 ± 0.0011 Å
• α: 90°
• β: 93.387 ± 0.003°
• γ: 90°
• Cell volume: 1109.98 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No