Information card for entry 7236060

Structure parameters

• Formula: C32 H62 F2 O4 P2
• Calculated formula: C32 H62 F2 O4 P2
• Title of publication: An organophosphine oxide redox shuttle additive that delivers long-term overcharge protection for 4 V lithium-ion batteries
• Authors of publication: Huang, Jinhua; Azimi, Nasim; Cheng, Lei; Shkrob, Ilya A.; Xue, Zheng; Zhang, Junjie; Dietz Rago, Nancy L.; Curtiss, Larry A.; Amine, Khalil; Zhang, Zhengcheng; Zhang, Lu
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 20
• Pages of publication: 10710
• a: 8.3768 ± 0.0006 Å
• b: 9.7336 ± 0.0008 Å
• c: 11.0989 ± 0.0009 Å
• α: 75.782 ± 0.004°
• β: 88.91 ± 0.004°
• γ: 79.489 ± 0.004°
• Cell volume: 862.21 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1119
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2632
• Weighted residual factors for all reflections included in the refinement: 0.2964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No