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Information card for entry 2022083
Preview
| Coordinates | 2022083.cif |
|---|---|
| Structure factors | 2022083.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[2-hydroxy-<i>N</i>-methylethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]] |
|---|---|
| Formula | C6 H10 Cu2 N4 O |
| Calculated formula | C6 H10 Cu2 N4 O |
| Title of publication | Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation |
| Authors of publication | Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 8.8994 ± 0.0005 Å |
| b | 8.8994 ± 0.0005 Å |
| c | 11.375 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 900.89 ± 0.11 Å3 |
| Cell temperature | 303 ± 1 K |
| Ambient diffraction temperature | 303 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections included in the refinement | 0.0483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250918 (current) | 2020-04-18 | cif/ hkl/ Adding structures of 2022083 via cif-deposit CGI script. |
2022083.cif 2022083.hkl |
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