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Information card for entry 7130284
Preview
| Coordinates | 7130284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H12 N6 O4 Zn |
|---|---|
| Calculated formula | C18 H12 N6 O4 Zn |
| Title of publication | Water vapour induced reversible switching between a 1-D coordination polymer and a 0-D aqua complex |
| Authors of publication | Zaworotko, Michael; Deng, Ming; Mukherjee, Soumya; Liang, Yu-Jie; Fang, Xiao-Dan; Zhu, Ai-Xin |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 6.5102 ± 0.0009 Å |
| b | 7.7166 ± 0.0012 Å |
| c | 17.682 ± 0.003 Å |
| α | 102.09 ± 0.009° |
| β | 91.927 ± 0.012° |
| γ | 100.163 ± 0.009° |
| Cell volume | 852.7 ± 0.2 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 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 | 0.1447 |
| Residual factor for significantly intense reflections | 0.1173 |
| Weighted residual factors for significantly intense reflections | 0.3007 |
| Weighted residual factors for all reflections included in the refinement | 0.3149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276269 (current) | 2022-06-26 | cif/ Adding structures of 7130283, 7130284, 7130285 via cif-deposit CGI script. |
7130284.cif |
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Users of the data should acknowledge the original authors of the
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