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Information card for entry 4126046
Preview
| Coordinates | 4126046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H68 N24 O4 |
|---|---|
| Calculated formula | C70 H68 N24 O4 |
| Title of publication | An Elastic Hydrogen-Bonded Cross-Linked Organic Framework for Effective Iodine Capture in Water. |
| Authors of publication | Lin, Yunxiao; Jiang, Xuanfeng; Kim, Samuel T.; Alahakoon, Sampath B.; Hou, Xisen; Zhang, Zhiyun; Thompson, Christina M.; Smaldone, Ronald A.; Ke, Chenfeng |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 21 |
| Pages of publication | 7172 - 7175 |
| a | 11.945 ± 0.002 Å |
| b | 26.364 ± 0.005 Å |
| c | 15.094 ± 0.003 Å |
| α | 90° |
| β | 98.517 ± 0.003° |
| γ | 90° |
| Cell volume | 4701 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1611 |
| Residual factor for significantly intense reflections | 0.1103 |
| Weighted residual factors for significantly intense reflections | 0.3367 |
| Weighted residual factors for all reflections included in the refinement | 0.3706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197446 (current) | 2017-06-05 | cif/ Updating files of 4126046 Original log message: Adding full bibliography for 4126046.cif. |
4126046.cif |
| 196794 | 2017-05-20 | cif/ Adding structures of 4126046 via cif-deposit CGI script. |
4126046.cif |
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Users of the data should acknowledge the original authors of the
structural data.