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Information card for entry 2312696
Preview
| Coordinates | 2312696.cif |
|---|---|
| Structure factors | 2312696.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aquadichlorido[μ~4~-4'-(pyridin-4-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato][μ~3~-3'-(pyridin-4-yl)-[2,2':6',2''-terpyridine]-4,4''-dicarboxylato]tricopper(II)] monohydrate] |
|---|---|
| Formula | C44 H28 Cl2 Cu3 N8 O10 |
| Calculated formula | C44 H28 Cl2 Cu3 N8 O10 |
| Title of publication | Construction of pyridine-functionalized metal-organic frameworks for the detection of flazasulfuron. |
| Authors of publication | Zhao, Xiaoya; Su, Boya; Zhao, Qian; Lv, Wan; Chen, Litong; Huang, Lixin; Li, Xia; Liao, Shengyun |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 12 |
| a | 11.2134 ± 0.0006 Å |
| b | 13.8055 ± 0.0007 Å |
| c | 14.5447 ± 0.0008 Å |
| α | 105.621 ± 0.005° |
| β | 112.318 ± 0.005° |
| γ | 91.39 ± 0.004° |
| Cell volume | 1985.7 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0782 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296146 (current) | 2024-11-28 | cif/ hkl/ Adding structures of 2312696, 2312697 via cif-deposit CGI script. |
2312696.cif 2312696.hkl |
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Users of the data should acknowledge the original authors of the
structural data.