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Information card for entry 7224146
Preview
| Coordinates | 7224146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H13 Cu N3 O S |
|---|---|
| Calculated formula | C15 H13 Cu N3 O S |
| SMILES | [Cu]12([N](=Cc3c(O2)ccc(c3)C)Cc2[n]1cccc2)N=C=S |
| Title of publication | Inhibition studies of Helicobacter pylori urease with Schiff base copper(II) complexes |
| Authors of publication | You, Zhonglu; Liu, Mingyang; Wang, Cunfang; Sheng, Gui-Hua; Zhao, Xinlu; Qu, Dan; Niu, Fang |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 6.9863 ± 0.0004 Å |
| b | 15.379 ± 0.0008 Å |
| c | 13.3498 ± 0.0008 Å |
| α | 90° |
| β | 91.874 ± 0.002° |
| γ | 90° |
| Cell volume | 1433.57 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176225 (current) | 2016-02-05 | cif/ Adding structures of 7224139, 7224140, 7224141, 7224142, 7224143, 7224144, 7224145, 7224146, 7224147 via cif-deposit CGI script. |
7224146.cif |
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Users of the data should acknowledge the original authors of the
structural data.