Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019617
Preview
| Coordinates | 2019617.cif |
|---|---|
| Structure factors | 2019617.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[bis(trithiocyanurato-κ^2^<i>N</i>,<i>S</i>)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monosolvate] |
|---|---|
| Formula | C26 H20 N10 S6 Zn |
| Calculated formula | C26 H20 N10 S6 Zn |
| SMILES | [Zn]12(SC3=[N]1C(=S)NC(=S)N3)(SC1=[N]2C(=S)NC(=S)N1)([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Zn]12(SC3=[N]1C(=S)NC(=S)N3)SC1=[N]2C(=S)NC(=S)N1.n1ccc(cc1)c1ccncc1.n1ccc(cc1)c1ccncc1 |
| 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 | 13.3778 ± 0.001 Å |
| b | 11.3937 ± 0.0009 Å |
| c | 19.2967 ± 0.0014 Å |
| α | 90° |
| β | 96.044 ± 0.001° |
| γ | 90° |
| Cell volume | 2924.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0463 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| 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. |
2019617.cif 2019617.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. |
2019617.cif 2019617.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. |
2019617.cif 2019617.hkl |
| 120001 | 2014-07-11 | cif/ hkl/ Adding structures of 2019616, 2019617 via cif-deposit CGI script. |
2019617.cif 2019617.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.