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Information card for entry 1571421
Preview
| Coordinates | 1571421.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H4 N2 O2 S |
|---|---|
| Calculated formula | C4 H4 N2 O2 S |
| Title of publication | Evolving better solvate electrolytes for lithium secondary batteries. |
| Authors of publication | Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 19 |
| Pages of publication | 7342 - 7358 |
| a | 5.4317 ± 0.0002 Å |
| b | 7.1254 ± 0.0003 Å |
| c | 8.5194 ± 0.0003 Å |
| α | 95.165 ± 0.003° |
| β | 96.669 ± 0.003° |
| γ | 104.049 ± 0.003° |
| Cell volume | 315.3 ± 0.02 Å3 |
| Cell temperature | 223.15 K |
| Ambient diffraction temperature | 223.15 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292890 (current) | 2024-07-05 | cif/ Updating files of 1571419, 1571420, 1571421, 1571422, 1571423, 1571424 Original log message: Adding full bibliography for 1571419--1571424.cif. |
1571421.cif |
| 291198 | 2024-04-16 | cif/ Adding structures of 1571419, 1571420, 1571421, 1571422, 1571423, 1571424 via cif-deposit CGI script. |
1571421.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.