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Information card for entry 7712512
Preview
| Coordinates | 7712512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H9 Cl2 Cu N3 |
|---|---|
| Calculated formula | C6 H9 Cl2 Cu N3 |
| SMILES | [Cu]1(Cl)(Cl)[n]2cccn2C(CC)=[NH]1 |
| Title of publication | The effect of anions in the synthesis and structure of pyrazolylamidino copper(II) complexes |
| Authors of publication | Hsieh, Chang-Chih; Liao, Po-Kuang; Chen, Chia-Wei; Chiang, Ming-Hsi; Horng, Yih-Chern |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 8.4981 ± 0.0003 Å |
| b | 6.8635 ± 0.0003 Å |
| c | 16.2694 ± 0.0006 Å |
| α | 90° |
| β | 103.12 ± 0.002° |
| γ | 90° |
| Cell volume | 924.17 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.67 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281297 (current) | 2023-03-04 | cif/ Adding structures of 7712506, 7712507, 7712508, 7712509, 7712510, 7712511, 7712512, 7712513, 7712514, 7712515, 7712516 via cif-deposit CGI script. |
7712512.cif |
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Users of the data should acknowledge the original authors of the
structural data.