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Information card for entry 2023043
Preview
| Coordinates | 2023043.cif |
|---|---|
| Structure factors | 2023043.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aquacopper(II)]-bis(μ-4-aminobenzoato)-κ^2^<i>N</i>:<i>O</i>;κ^2^<i>O</i>:<i>N</i>] monohydrate] |
|---|---|
| Formula | C14 H16 Cu N2 O6 |
| Calculated formula | C14 H16 Cu N2 O6 |
| Title of publication | Crystal structure and characterization of a new one-dimensional copper(II) coordination polymer containing a 4-amino-benzoic acid ligand. |
| Authors of publication | Gogia, Alisha; Novikov, Egor M.; Guzei, Ilia A.; Fonari, Marina S.; Timofeeva, Tatiana V. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 330 - 334 |
| a | 6.9143 ± 0.0014 Å |
| b | 6.2111 ± 0.0012 Å |
| c | 17.169 ± 0.003 Å |
| α | 90° |
| β | 90.05 ± 0.03° |
| γ | 90° |
| Cell volume | 737.3 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.0865 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291127 (current) | 2024-04-06 | cif/ Updating files of 2023043 Original log message: Adding full bibliography for 2023043.cif. |
2023043.cif 2023043.hkl |
| 289910 | 2024-02-21 | cif/ hkl/ Adding structures of 2023043 via cif-deposit CGI script. |
2023043.cif 2023043.hkl |
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Users of the data should acknowledge the original authors of the
structural data.