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Information card for entry 1559712
Preview
| Coordinates | 1559712.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | poly[1,3-dimethyltetrahydropyrimidin-2(1<i>H</i>)-iminium [tri-μ~2~-cyanido-κ^6^ C:<i>N</i>-dicuprate(I)]] |
|---|---|
| Formula | C9 H14 Cu2 N6 |
| Calculated formula | C9 H14 Cu2 N6 |
| Title of publication | Poly[1,3-Dimethyltetrahydropyrimidin-2(1H)-iminium [tri-µ2-cyanido-κ6C:N-dicuprate(I)]] |
| Authors of publication | Corfield, Peter W. R.; Dayrit, Joseph R. |
| Journal of publication | Molbank |
| Year of publication | 2020 |
| Journal volume | 2020 |
| Journal issue | 4 |
| Pages of publication | M1170 |
| a | 8.5598 ± 0.0014 Å |
| b | 14.825 ± 0.004 Å |
| c | 10.853 ± 0.002 Å |
| α | 90° |
| β | 108.57 ± 0.013° |
| γ | 90° |
| Cell volume | 1305.5 ± 0.5 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259632 (current) | 2020-12-06 | cif/ Adding structures of 1559712 via cif-deposit CGI script. |
1559712.cif |
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Users of the data should acknowledge the original authors of the
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