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Information card for entry 8104896
Preview
| Coordinates | 8104896.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H15 Cl Cu N4 O3 |
|---|---|
| Calculated formula | C23 H15 Cl Cu N4 O3 |
| Title of publication | Crystal structure of the Cu(II) complex chlorido-(6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxylato-k2 N,O)-(phenanthroline-k2 N,N')copper(II), C23H15ClCuN4O3 |
| Authors of publication | Yang, Qi; Hou, Meng-Qi; Chen, Pei-Rou; Li, Shuo; Zhou, Guang-Peng; Li, Gan; Chen, Dong-Dong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 109 - 111 |
| a | 10.63346 ± 0.00014 Å |
| b | 17.99387 ± 0.00015 Å |
| c | 11.6032 ± 0.00016 Å |
| α | 90° |
| β | 116.216 ± 0.0017° |
| γ | 90° |
| Cell volume | 1991.74 ± 0.05 Å3 |
| Cell temperature | 292.88 ± 0.11 K |
| Ambient diffraction temperature | 292.88 ± 0.11 K |
| Number of distinct elements | 6 |
| 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 | 0.0339 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274033 (current) | 2022-03-28 | cif/ Adding structures of 8104896 via cif-deposit CGI script. |
8104896.cif |
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Users of the data should acknowledge the original authors of the
structural data.