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Information card for entry 7240327
Preview
| Coordinates | 7240327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H29 N3 O4 S Zn |
|---|---|
| Calculated formula | C22 H29 N3 O4 S Zn |
| SMILES | [Zn]12(OC(=O)C)([OH]c3c(C[NH]2CC(C[NH]1Cc1ccccc1O)(C)C)cccc3)N=C=S |
| Title of publication | A theoretical insight on the rigid hydrogen-bonded network in the solid state structure of two zinc(ii) complexes and their strong fluorescence behaviors |
| Authors of publication | Mondal, Ipsita; Basak, Tanmoy; Banerjee, Snehasis; Chattopadhyay, Shouvik |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 11.3882 ± 0.0012 Å |
| b | 17.9996 ± 0.0019 Å |
| c | 11.8463 ± 0.0015 Å |
| α | 90° |
| β | 108.327 ± 0.004° |
| γ | 90° |
| Cell volume | 2305.1 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1605 |
| Weighted residual factors for all reflections included in the refinement | 0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250872 (current) | 2020-04-17 | cif/ Adding structures of 7240326, 7240327 via cif-deposit CGI script. |
7240327.cif |
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