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Information card for entry 2023257
Preview
| Coordinates | 2023257.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate] |
|---|---|
| Formula | C7 H11 Cl Cu N2 O0.5 |
| Calculated formula | C7 H11 Cl Cu N2 O0.5 |
| Title of publication | Synthesis and crystal structure of poly[[μ-chlorido-μ-(2,3-dimethylpyrazine)-copper(I)] ethanol hemisolvate], which shows a new isomeric CuCl(2,3-dimethylpyrazine) network |
| Authors of publication | Näther, Christian; Jess, Inke |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| a | 7.0557 ± 0.0005 Å |
| b | 14.5923 ± 0.0008 Å |
| c | 17.4171 ± 0.0013 Å |
| α | 90° |
| β | 92.253 ± 0.009° |
| γ | 90° |
| Cell volume | 1791.9 ± 0.2 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170.15 K |
| Number of distinct elements | 6 |
| 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 | 0.0558 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.0998 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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