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Information card for entry 7240326
Preview
| Coordinates | 7240326.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H29 N5 O4 Zn |
|---|---|
| Calculated formula | C21 H29 N5 O4 Zn |
| SMILES | [Zn]12([OH]c3c(C[NH]2CC(C[NH]1Cc1ccccc1O)(C)C)cccc3)(OC(=O)C)N=N#N |
| 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 | 11.391 ± 0.0008 Å |
| b | 18.0035 ± 0.0013 Å |
| c | 11.849 ± 0.001 Å |
| α | 90° |
| β | 108.332 ± 0.002° |
| γ | 90° |
| Cell volume | 2306.6 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.1 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.148 |
| 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. |
7240326.cif |
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