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Information card for entry 7218946
Preview
| Coordinates | 7218946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 N4 O4 S2 Zn2 |
|---|---|
| Calculated formula | C26 H28 N4 O4 S2 Zn2 |
| SMILES | N(=C=S)[Zn]123[O]4CCC[C@@H]4C[N]1=Cc1c(cccc1)[O]2[Zn]12([N](=Cc4c(cccc4)[O]31)C[C@H]1[O]2CCC1)N=C=S |
| Title of publication | Isothiocyanato and azido coordination induced structural diversity in zinc(ii) complexes with Schiff base containing tetrahydrofuran group: synthesis, characterization, crystal structure and fluorescence study |
| Authors of publication | Mandal, Haridas; Chakrabartty, Sukanta; Ray, Debashis |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 110 |
| Pages of publication | 65044 |
| a | 6.8404 ± 0.0008 Å |
| b | 21.759 ± 0.002 Å |
| c | 9.8058 ± 0.0011 Å |
| α | 90° |
| β | 106.686 ± 0.003° |
| γ | 90° |
| Cell volume | 1398 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180520 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/89. |
7218946.cif |
| 127978 | 2014-11-28 | cif/ Adding structures of 7218945, 7218946, 7218947 via cif-deposit CGI script. |
7218946.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.