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Information card for entry 7205336
Preview
| Coordinates | 7205336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C36 H30 As2 N4 O14 S2 Zn2 |
|---|---|
| Calculated formula | C36 H30 As2 N4 O14 S2 Zn2 |
| SMILES | c1ccc2ccc3c4[n](ccc3)[Zn]35([n]1c24)[O]=[As](c1c(cccc1)S(=O)(=O)O5)(O)O[Zn]12([n]4cccc5ccc6ccc[n]1c6c45)[O]=[As](c1c(cccc1)S(=O)(=O)O2)(O)O3.O.O |
| Title of publication | Towards rational design of zinc(ii) and cadmium(ii) sulfonate-arsonates with low dimensional aggregations |
| Authors of publication | Yi, Fei-Yan; Xu, Hai-Bing; Zhou, Tian-Hua; Mao, Jiang-Gao |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1480 |
| a | 19.161 ± 0.006 Å |
| b | 14.429 ± 0.004 Å |
| c | 14.001 ± 0.004 Å |
| α | 90° |
| β | 90.449 ± 0.004° |
| γ | 90° |
| Cell volume | 3871 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0642 |
| Weighted residual factors for all reflections included in the refinement | 0.066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7205336.cif |
| 180384 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/53. |
7205336.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205336.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205336.cif |
| 14620 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205332, 7205333, 7205334, 7205335, 7205336, 7205337, 7205338, 7205339, 7205340, 7205341, 7205342, 7205343 via cif-deposit CGI script. |
7205336.cif |
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Users of the data should acknowledge the original authors of the
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