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Information card for entry 7245178
Preview
| Coordinates | 7245178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 Cl3 Cu N4 |
|---|---|
| Calculated formula | C19 H17 Cl3 Cu N4 |
| Title of publication | Mechanosynthesis of polymeric and binuclear copper complexes via dehydrochlorination and their application in solvent-free C–S bond cross-coupling |
| Authors of publication | Hao, Xiujia; Li, Xinyu; Li, Haitao; Zhang, Xin; Liu, Xiaozhi; Guo, Fang |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 10.1471 ± 0.0009 Å |
| b | 13.7121 ± 0.0012 Å |
| c | 14.0607 ± 0.0012 Å |
| α | 90° |
| β | 92.858 ± 0.003° |
| γ | 90° |
| Cell volume | 1953.9 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0521 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276820 (current) | 2022-07-23 | cif/ Adding structures of 7245178, 7245179, 7245180 via cif-deposit CGI script. |
7245178.cif |
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Users of the data should acknowledge the original authors of the
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