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Information card for entry 2018941
Preview
| Coordinates | 2018941.cif |
|---|---|
| Structure factors | 2018941.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) [tetra-μ~2~-thiocyanato-κ^4^<i>S</i>:<i>S</i>;κ^4^<i>S</i>:<i>N</i>-dicopper(I)]] |
|---|---|
| Formula | C16 H20 Cu2 N8 S4 |
| Calculated formula | C8 H10 Cu N4 S2 |
| Title of publication | A novel two-dimensional CuSCN network templated by 2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) cations |
| Authors of publication | Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | 610 - 612 |
| a | 9.6679 ± 0.0008 Å |
| b | 9.7024 ± 0.0008 Å |
| c | 12.3648 ± 0.001 Å |
| α | 90° |
| β | 99.969 ± 0.001° |
| γ | 90° |
| Cell volume | 1142.33 ± 0.16 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1226 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180858 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/89. |
2018941.cif 2018941.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018941.cif 2018941.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2018941.cif 2018941.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2018941.cif 2018941.hkl |
| 86419 | 2013-07-11 | cif/ Adding structures of 2018941 via cif-deposit CGI script. |
2018941.cif |
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Users of the data should acknowledge the original authors of the
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