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Information card for entry 2019988
Preview
| Coordinates | 2019988.cif |
|---|---|
| Structure factors | 2019988.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[diaquacopper(II)]-μ-3-amino-4-carboxylatobenzene-1-sulfonato-κ^2^<i>O</i>^4^:<i>O</i>^4'^] |
|---|---|
| Formula | C7 H9 Cu N O7 S |
| Calculated formula | C7 H9 Cu N O7 S |
| SMILES | [Cu]1([OH2])([NH2]c2c(ccc(c2)S(=O)(=O)[O-])C(=O)O1)([OH2])[O]=C1c2c(cc(cc2)S(=O)(=O)[O-])[NH2][Cu]([OH2])([OH2])O1 |
| Title of publication | Synthesis, structure and characterization of two copper(II) supramolecular coordination polymers based on a multifunctional ligand 2-amino-4-sulfobenzoic acid |
| Authors of publication | Wei, Yan; Zhang, Lei; Wang, Meng-Jie; Chen, Si-Chun; Wang, Zi-Hao; Zhang, Kou-Lin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| a | 8.4858 ± 0.0009 Å |
| b | 9.9337 ± 0.0011 Å |
| c | 14.5512 ± 0.0013 Å |
| α | 90° |
| β | 120.445 ± 0.005° |
| γ | 90° |
| Cell volume | 1057.5 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0282 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249787 (current) | 2020-03-27 | cif/2 Fixing some Z values and formulae |
2019988.cif 2019988.hkl |
| 181869 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/99. |
2019988.cif 2019988.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2019988.cif 2019988.hkl |
| 139274 | 2015-06-17 | cif/ hkl/ Adding structures of 2019987, 2019988 via cif-deposit CGI script. |
2019988.cif 2019988.hkl |
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