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Information card for entry 2019616
Preview
| Coordinates | 2019616.cif |
|---|---|
| Structure factors | 2019616.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[4-amino-3,5-bis(pyridin-3-yl)-1,2,4-triazole-κ<i>N</i>^3^]bis(trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II) |
|---|---|
| Formula | C30 H28 N18 O2 S6 Zn |
| Calculated formula | C30 H28 N18 O2 S6 Zn |
| SMILES | C12NC(=S)NC(=S)[N]=2[Zn]2([n]3cccc(c3)c3nnc(n3N)c3cccnc3)(S1)([N]1=C(NC(=S)NC1=S)S2)[n]1cccc(c1)c1nnc(n1N)c1cccnc1.O.O |
| Title of publication | Two Zn^II^ coordination complexes assembled by trithiocyanuric acid and two different N-donor auxiliary ligands |
| Authors of publication | He, Xiao-Xiao; Guo, Ya-Mei |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| a | 7.7509 ± 0.0004 Å |
| b | 10.8253 ± 0.0001 Å |
| c | 12.5824 ± 0.0011 Å |
| α | 77.543 ± 0.016° |
| β | 81.089 ± 0.018° |
| γ | 72.256 ± 0.016° |
| Cell volume | 977.32 ± 0.14 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0857 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019616.cif 2019616.hkl |
| 180864 | 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 2/01/96. |
2019616.cif 2019616.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. |
2019616.cif 2019616.hkl |
| 120001 | 2014-07-11 | cif/ hkl/ Adding structures of 2019616, 2019617 via cif-deposit CGI script. |
2019616.cif 2019616.hkl |
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