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Information card for entry 7224143
Preview
| Coordinates | 7224143.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H17 Cl Cu N2 O2 |
|---|---|
| Calculated formula | C15 H17 Cl Cu N2 O2 |
| SMILES | [Cu]12([N](=Cc3c(O2)ccc(c3)C)Cc2[n]1cccc2)Cl.OC |
| 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 | 7.2905 ± 0.0008 Å |
| b | 9.0921 ± 0.001 Å |
| c | 11.8121 ± 0.0013 Å |
| α | 100.605 ± 0.003° |
| β | 98.485 ± 0.003° |
| γ | 91.807 ± 0.003° |
| Cell volume | 759.79 ± 0.15 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0478 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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. |
7224143.cif |
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Users of the data should acknowledge the original authors of the
structural data.