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Information card for entry 2241474
Preview
| Coordinates | 2241474.cif |
|---|---|
| Structure factors | 2241474.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc |
|---|---|
| Formula | C22 H32 N4 O2 S4 Zn |
| Calculated formula | C22 H32 N4 O2 S4 Zn |
| SMILES | C1(N(CCO)C(C)C)=[S][Zn]23([n]4ccccc4c4[n]2cccc4)(S1)[S]=C(N(CCO)C(C)C)S3 |
| Title of publication | Crystal structures of (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc dihydrate and (2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc |
| Authors of publication | Safbri, Siti Artikah M.; Halim, Siti Nadiah Abdul; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 2 |
| Pages of publication | 203 - 208 |
| a | 19.4997 ± 0.0011 Å |
| b | 9.0027 ± 0.0005 Å |
| c | 15.5352 ± 0.0008 Å |
| α | 90° |
| β | 98.031 ± 0.005° |
| γ | 90° |
| Cell volume | 2700.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0674 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241474.cif 2241474.hkl |
| 174630 | 2016-01-21 | cif/ hkl/ Adding structures of 2241473, 2241474 via cif-deposit CGI script. |
2241474.cif 2241474.hkl |
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Users of the data should acknowledge the original authors of the
structural data.