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Information card for entry 1561556
Preview
| Coordinates | 1561556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H7 Cd N O5 |
|---|---|
| Calculated formula | C13 H7 Cd N O5 |
| Title of publication | Configurations, band structures and photocurrent responses of 4-(4-oxopyridin-1(4H)-yl)phthalic acid and its metal-organic frameworks |
| Authors of publication | Yan, Xingxiu; Qiu, Xiandeng; Yan, Zhishuo; Li, Hongjiang; Gong, Yun; Lin, Jianhua |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2016 |
| Journal volume | 237 |
| Pages of publication | 313 - 322 |
| a | 7.5226 ± 0.0005 Å |
| b | 8.7212 ± 0.0006 Å |
| c | 9.0959 ± 0.0007 Å |
| α | 79.945 ± 0.001° |
| β | 78.462 ± 0.001° |
| γ | 82.405 ± 0.002° |
| Cell volume | 572.77 ± 0.07 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.0396 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263971 (current) | 2021-04-08 | cif/ Adding structures of 1561553, 1561554, 1561555, 1561556 via cif-deposit CGI script. |
1561556.cif |
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Users of the data should acknowledge the original authors of the
structural data.