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Information card for entry 2020073
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| Coordinates | 2020073.cif |
|---|---|
| Structure factors | 2020073.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane-κ^4^<i>N</i>)octakis-μ~2~-thiocyanato-κ^8^<i>N</i>:<i>S</i>;κ^8^<i>S</i>:<i>N</i>-tricadmium(II)] |
|---|---|
| Formula | C24 H28 Cd3 N14 S8 |
| Calculated formula | C24 H28 Cd3 N14 S8 |
| Title of publication | A two-dimensional cadmium(II) coordination polymer based on 1-cyanomethyl-4-aza-1-azoniabicyclo[2.2.2]octane and thiocyanate ligands |
| Authors of publication | Wang, Hui-Ting; Li, Qiang; Zhou, Lin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| a | 7.1457 ± 0.0014 Å |
| b | 26.002 ± 0.005 Å |
| c | 10.043 ± 0.002 Å |
| α | 90° |
| β | 94.36 ± 0.03° |
| γ | 90° |
| Cell volume | 1860.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0575 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| 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 |
|---|---|---|---|
| 181870 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020073.cif 2020073.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2020073.cif 2020073.hkl |
| 153016 | 2015-08-07 | cif/ hkl/ Adding structures of 2020073 via cif-deposit CGI script. |
2020073.cif 2020073.hkl |
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Users of the data should acknowledge the original authors of the
structural data.