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Information card for entry 1573541
Preview
| Coordinates | 1573541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 Na4 O10 P2 |
|---|---|
| Calculated formula | C22 H28 Na4 O10 P2 |
| Title of publication | Ionically conducting Li- and Na-phosphonates as organic electrode materials for rechargeable batteries. |
| Authors of publication | Zhang, Yan; Apostol, Petru; Rambabu, Darsi; Guo, Xiaolong; Liu, Xuelian; Lin, Xiaodong; Xie, Haijiao; Chen, Xiaohua; Robeyns, Koen; Wang, Jiande; Wang, Junzhong; Vlad, Alexandru |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| a | 12.6672 ± 0.0014 Å |
| b | 6.1624 ± 0.0006 Å |
| c | 18.016 ± 0.002 Å |
| α | 90° |
| β | 106.967 ± 0.012° |
| γ | 90° |
| Cell volume | 1345.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1318 |
| Residual factor for significantly intense reflections | 0.0878 |
| Weighted residual factors for significantly intense reflections | 0.1694 |
| Weighted residual factors for all reflections included in the refinement | 0.1881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296971 (current) | 2024-12-26 | cif/ Adding structures of 1573541 via cif-deposit CGI script. |
1573541.cif |
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Users of the data should acknowledge the original authors of the
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