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Information card for entry 7220726
Preview
| Coordinates | 7220726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H48 N6 O22 S4 Zn |
|---|---|
| Calculated formula | C42 H48 N6 O22 S4 Zn |
| SMILES | c1(cc(c2cc[n](cc2)[Zn]([OH2])([OH2])([n]2ccc(c3cc(cc(c4cc[nH+]cc4)n3)c3c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc3)cc2)([OH2])[OH2])nc(c2cc[nH+]cc2)c1)c1c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc1.O.O.O.O.O.O |
| Title of publication | Syntheses, structures, and properties of nine d10or p-block coordination polymers based on a ligand containing both terpyridyl and sulfo groups |
| Authors of publication | Zhang, Li; Zheng, Jia-Dan; Chen, Yi-Ting; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 29 |
| Pages of publication | 5538 |
| a | 22.103 ± 0.003 Å |
| b | 19.932 ± 0.003 Å |
| c | 15.101 ± 0.002 Å |
| α | 90° |
| β | 130.848 ± 0.002° |
| γ | 90° |
| Cell volume | 5032.5 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1685 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.2462 |
| Weighted residual factors for all reflections included in the refinement | 0.3006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187625 (current) | 2016-10-27 | cif/7 Marking attached hydrogen atoms for C and O atoms. |
7220726.cif |
| 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. |
7220726.cif |
| 153116 | 2015-08-08 | cif/ Updating files of 7220726, 7220727, 7220728, 7220729, 7220730, 7220731, 7220732, 7220733, 7220734 Original log message: Adding full bibliography for 7220726--7220734.cif. |
7220726.cif |
| 139021 | 2015-06-10 | cif/ Adding structures of 7220726, 7220727, 7220728, 7220729, 7220730, 7220731, 7220732, 7220733, 7220734 via cif-deposit CGI script. |
7220726.cif |
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Users of the data should acknowledge the original authors of the
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