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Information card for entry 7712532
Preview
| Coordinates | 7712532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H36 Cl6 N8 Zn3 |
|---|---|
| Calculated formula | C12 H36 Cl6 N8 Zn3 |
| Title of publication | A tris(2-aminoethyl)amine-based zinc complex as a highly water-soluble drug carrier for the anti-COVID-19 drug favipiravir: a joint experimental and theoretical study. |
| Authors of publication | Hajibabaei, Farshid; Sanei Movafagh, Samaneh; Salehzadeh, Sadegh; Gable, Robert William |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 8.0201 ± 0.0016 Å |
| b | 16.781 ± 0.003 Å |
| c | 19.809 ± 0.004 Å |
| α | 90° |
| β | 95.86 ± 0.03° |
| γ | 90° |
| Cell volume | 2652.1 ± 0.9 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| 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 | 0.0274 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71092 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281718 (current) | 2023-03-08 | cif/ Adding structures of 7712532, 7712533, 7712534 via cif-deposit CGI script. |
7712532.cif |
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Users of the data should acknowledge the original authors of the
structural data.