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Information card for entry 7236060
Preview
| Coordinates | 7236060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236060.cif |
| 233889 | 2019-11-23 | cif/ Adding structures of 7236060 via cif-deposit CGI script. |
7236060.cif |
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Users of the data should acknowledge the original authors of the
structural data.