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Information card for entry 7235773
Preview
| Coordinates | 7235773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 Na2 O5 |
|---|---|
| Calculated formula | C14 H8 Na2 O5 |
| SMILES | C(=O)(c1ccc(cc1)c1ccc(C(=O)[O-])cc1)[O-].[Na+].[Na+].O |
| Title of publication | 4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries |
| Authors of publication | Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri |
| Journal of publication | J. Mater. Chem. A |
| Year of publication | 2014 |
| Journal volume | 2 |
| Journal issue | 36 |
| Pages of publication | 14986 |
| a | 27.72 ± 0.006 Å |
| b | 5.806 ± 0.0012 Å |
| c | 7.553 ± 0.0015 Å |
| α | 90° |
| β | 92.7 ± 0.03° |
| γ | 90° |
| Cell volume | 1214.2 ± 0.4 Å3 |
| Cell temperature | 95 ± 2 K |
| Ambient diffraction temperature | 95 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.64999 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233314 (current) | 2019-11-23 | cif/ Adding structures of 7235773, 7235774 via cif-deposit CGI script. |
7235773.cif |
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Users of the data should acknowledge the original authors of the
structural data.