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Information card for entry 4002833
Preview
| Coordinates | 4002833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H104 Ce2 Cl4 N60 O57.5 |
|---|---|
| Calculated formula | C90 H104 Ce2 Cl4 N60 O57.5 |
| Title of publication | Cucurbit[10]uril-Based Smart Supramolecular Organic Frameworks in Selective Isolation of Metal Cations |
| Authors of publication | Yao, Yu-Qing; Zhang, Ying-Jie; Huang, Chao; Zhu, Qian-Jiang; Tao, Zhu; Ni, Xin-Long; Wei, Gang |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2017 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 5468 |
| a | 20.852 ± 0.004 Å |
| b | 21.303 ± 0.004 Å |
| c | 22.769 ± 0.005 Å |
| α | 71.45 ± 0.03° |
| β | 66.73 ± 0.03° |
| γ | 74.75 ± 0.03° |
| Cell volume | 8699 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0975 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.2363 |
| Weighted residual factors for all reflections included in the refinement | 0.2519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.7108 Å |
| Diffraction radiation type | silicondoublecrystalmonochromatedsynchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199514 (current) | 2017-08-04 | cif/ Adding structures of 4002833 via cif-deposit CGI script. |
4002833.cif |
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Users of the data should acknowledge the original authors of the
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