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Information card for entry 8107677
Preview
| Coordinates | 8107677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H23 Cu N3 O9 |
|---|---|
| Calculated formula | C22 H23 Cu N3 O9 |
| SMILES | c1cccc2c3cccc[n]3[Cu]34([n]12)[n]1c(C(=O)O3)ccc2cccc(c12)OCC(=O)O4.O.O.O.O |
| Title of publication | The crystal structure of [(8-carboxymethoxy-quinoline-2-carboxylate-κ 4 N,O,O,O)-2,2′-bipyridine-κ 2 N-copper(II)] tetrahydrate, C22H23N3O9Cu |
| Authors of publication | Zeng-Bing, Zhao; Shu-Cheng, Yang; Bing-Qi, Yang; Lan-Xing, Cheng; Xi-Shi, Tai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 6 |
| Pages of publication | 1115 - 1117 |
| a | 9.0356 ± 0.0002 Å |
| b | 9.6247 ± 0.0003 Å |
| c | 14.2969 ± 0.0003 Å |
| α | 86.989 ± 0.002° |
| β | 86.414 ± 0.002° |
| γ | 66.913 ± 0.002° |
| Cell volume | 1140.98 ± 0.05 Å3 |
| Cell temperature | 297.88 ± 0.1 K |
| Ambient diffraction temperature | 297.88 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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 |
|---|---|---|---|
| 287777 (current) | 2023-11-24 | cif/ Adding structures of 8107677 via cif-deposit CGI script. |
8107677.cif |
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Users of the data should acknowledge the original authors of the
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