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Information card for entry 7205335
Preview
| Coordinates | 7205335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H26 As2 Cd2 N4 O12 S2 |
|---|---|
| Calculated formula | C32 H26 As2 Cd2 N4 O12 S2 |
| SMILES | [Cd]1234([n]5ccccc5c5[n]1cccc5)[O]=[As]1(c5c(S(=[O]2)(O[Cd]26([n]7ccccc7c7[n]2cccc7)(O1)[O]=[As](c1c(S(=[O]6)(O4)=O)cccc1)(O3)O)=O)cccc5)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 | 8.191 ± 0.005 Å |
| b | 20.656 ± 0.012 Å |
| c | 21.283 ± 0.013 Å |
| α | 90° |
| β | 94.942 ± 0.013° |
| γ | 90° |
| Cell volume | 3588 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1116 |
| Residual factor for significantly intense reflections | 0.08 |
| Weighted residual factors for significantly intense reflections | 0.1569 |
| Weighted residual factors for all reflections included in the refinement | 0.1746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| 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. |
7205335.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. |
7205335.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205335.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205335.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. |
7205335.cif |
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Users of the data should acknowledge the original authors of the
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