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Information card for entry 7108805
Preview
| Coordinates | 7108805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 O4 S2 |
|---|---|
| Calculated formula | C14 H16 O4 S2 |
| SMILES | s1c2sc(c(c2c(c1C(=O)OCC)C)C)C(=O)OCC |
| Title of publication | Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions |
| Authors of publication | Guang-Sheng Yang; Zhong-Ling Lang; Hong-Ying Zang; Ya-Qian Lan; Wen-Wen He; Xiao-Liang Zhao; Li-Kai Yan; Xin-Long Wang; Zhong-Min Su |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 11 |
| Pages of publication | 1088 - 1090 |
| a | 7.542 ± 0.003 Å |
| b | 8.464 ± 0.005 Å |
| c | 13.006 ± 0.006 Å |
| α | 102.844 ± 0.003° |
| β | 100.097 ± 0.003° |
| γ | 107.616 ± 0.004° |
| Cell volume | 744.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1364 |
| Weighted residual factors for all reflections included in the refinement | 0.1495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.