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Information card for entry 1551869
Preview
| Coordinates | 1551869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C7 H5 Cu N O5 |
|---|---|
| Calculated formula | C7 H5 Cu N O5 |
| SMILES | C1(=O)c2cccc3[n]2[Cu](O1)(OC3=O)[OH2] |
| Title of publication | Copper Coordination Polymer Electrocatalyst for Strong Hydrogen Evolution Reaction Activity in Neutral Medium: Influence of Coordination Environment and Network Structure |
| Authors of publication | Muthukumar, P.; Moon, Dohyun; Anthony, Philip Philip |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2019 |
| a | 12.072 ± 0.002 Å |
| b | 10.473 ± 0.002 Å |
| c | 7.6968 ± 0.0015 Å |
| α | 90° |
| β | 127.27 ± 0.03° |
| γ | 90° |
| Cell volume | 774.4 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0989 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.6 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551869.cif |
| 216502 | 2019-06-25 | cif/ Adding structures of 1551866, 1551867, 1551868, 1551869, 1551870, 1551871 via cif-deposit CGI script. |
1551869.cif |
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Users of the data should acknowledge the original authors of the
structural data.