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Information card for entry 4517703
Preview
| Coordinates | 4517703.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H18 Cl Cu N3 O4 |
|---|---|
| Calculated formula | C19 H18 Cl Cu N3 O4 |
| SMILES | [Cu]12([n]3c(N[N]2=Cc2c(O1)ccc1ccccc21)ccc(c3)C(=O)OC)Cl.OC |
| Title of publication | Cu(II)-Hydrazide Coordination Compound Supported on Silica Gel as an Efficient and Recyclable Heterogeneous Catalyst for Green Click Synthesis of β-Hydroxy-1,2,3-triazoles in Water |
| Authors of publication | Emami, Marzieh; Bikas, Rahman; Noshiranzadeh, Nader; Kozakiewicz, Anna; Lis, Tadeusz |
| Journal of publication | ACS Omega |
| Year of publication | 2020 |
| a | 10.822 ± 0.004 Å |
| b | 8.919 ± 0.003 Å |
| c | 19.088 ± 0.007 Å |
| α | 90° |
| β | 105.07 ± 0.05° |
| γ | 90° |
| Cell volume | 1779 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0907 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252354 (current) | 2020-05-27 | cif/ Adding structures of 4517703 via cif-deposit CGI script. |
4517703.cif |
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