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Information card for entry 2243858
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| Coordinates | 2243858.cif |
|---|---|
| Structure factors | 2243858.hkl |
| Original IUCr paper | HTML |
| Common name | bis(2-methylpyridinium) tetrachlorocuprate(II) |
|---|---|
| Chemical name | Bis(2-methylpyridinium) tetrachloridocuprate(II) |
| Formula | C12 H16 Cl4 Cu N2 |
| Calculated formula | C12 H16 Cl4 Cu N2 |
| SMILES | c1(cccc[nH+]1)C.Cl[Cu](Cl)([Cl-])[Cl-].c1(cccc[nH+]1)C |
| Title of publication | Bis(2-methylpyridinium) tetrachloridocuprate(II): synthesis, structure and Hirshfeld surface analysis |
| Authors of publication | Mehmood, Tahir; Bhosale, Rajesh S.; Reddy, J. Prakasha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 7 |
| Pages of publication | 726 - 729 |
| a | 15.2354 ± 0.0008 Å |
| b | 8.3683 ± 0.0003 Å |
| c | 12.8372 ± 0.0006 Å |
| α | 90° |
| β | 99.205 ± 0.005° |
| γ | 90° |
| Cell volume | 1615.59 ± 0.13 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/c 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266718 (current) | 2021-06-26 | cif/ hkl/ Adding structures of 2243858 via cif-deposit CGI script. |
2243858.cif 2243858.hkl |
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Users of the data should acknowledge the original authors of the
structural data.