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Information card for entry 4515206
Preview
| Coordinates | 4515206.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H34 Cu2 N6 O13 S2 |
|---|---|
| Calculated formula | C46 H34 Cu2 N6 O13 S2 |
| Title of publication | Li+ Ion-Conducting Sulfonate-Based Neutral Metal‒Organic Framework |
| Authors of publication | Panda, Dillip K.; Maity, Krishnendu; Palukoshka, Andrei; Ibrahim, Faysal; Saha, Sourav |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 4619 |
| a | 10.8699 ± 0.0006 Å |
| b | 28.1809 ± 0.0016 Å |
| c | 13.7206 ± 0.0008 Å |
| α | 90° |
| β | 97.267 ± 0.002° |
| γ | 90° |
| Cell volume | 4169.2 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0805 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.188 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220316 (current) | 2019-10-29 | cif/ Adding structures of 4515206 via cif-deposit CGI script. |
4515206.cif |
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Users of the data should acknowledge the original authors of the
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