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Information card for entry 7054224
Preview
| Coordinates | 7054224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 Hg N4 S4 |
|---|---|
| Calculated formula | C28 H22 Hg N4 S4 |
| SMILES | C1(=[S][Hg]2(S1)SC(=[S]2)N(Cc1ccccc1)Cc1cnccc1)N(Cc1cnccc1)Cc1ccccc1 |
| 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 | 33.117 ± 0.004 Å |
| b | 4.6178 ± 0.001 Å |
| c | 19.233 ± 0.003 Å |
| α | 90° |
| β | 109.774 ± 0.016° |
| γ | 90° |
| Cell volume | 2767.8 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0932 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| 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. |
7054224.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. |
7054224.cif |
| 114602 | 2014-05-28 | cif/ Adding structures of 7054219, 7054220, 7054221, 7054222, 7054223, 7054224, 7054225, 7054226, 7054227, 7054228 via cif-deposit CGI script. |
7054224.cif |
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Users of the data should acknowledge the original authors of the
structural data.