Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7054228
Preview
| Coordinates | 7054228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H30 N4 S4 Zn |
|---|---|
| Calculated formula | C28 H30 N4 S4 Zn |
| SMILES | [Zn]12([S]=C(S1)N(Cc1cccn1C)Cc1ccccc1)[S]=C(S2)N(Cc1ccccc1)Cc1cccn1C |
| Title of publication | Effect of pyridyl substituents leading to the formation of green luminescent mercury(ii) coordination polymers, zinc(ii) dimers and a monomer |
| Authors of publication | Singh, Vikram; Kumar, Vinod; Gupta, Ajit N.; Drew, Michael G. B.; Singh, Nanhai |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 8 |
| Pages of publication | 3737 |
| a | 10.751 ± 0.002 Å |
| b | 7.834 ± 0.003 Å |
| c | 18.396 ± 0.003 Å |
| α | 67.026 ± 0.016° |
| β | 81.671 ± 0.017° |
| γ | 84.999 ± 0.015° |
| Cell volume | 1410.6 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1156 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.2214 |
| Weighted residual factors for all reflections included in the refinement | 0.2441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180096 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/42. |
7054228.cif |
| 121731 | 2014-08-08 | cif/ Updating files of 7054219, 7054220, 7054221, 7054222, 7054223, 7054224, 7054225, 7054226, 7054227, 7054228 Original log message: Adding full bibliography for 7054219--7054228.cif. |
7054228.cif |
| 114602 | 2014-05-28 | cif/ Adding structures of 7054219, 7054220, 7054221, 7054222, 7054223, 7054224, 7054225, 7054226, 7054227, 7054228 via cif-deposit CGI script. |
7054228.cif |
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.