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Information card for entry 7135104
Preview
| Coordinates | 7135104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C105 H102 Cl6 N18 Se3 |
|---|---|
| Calculated formula | C102 H96 N18 Se3 |
| Title of publication | Precise Heteroatoms Engineering for Iodine Capture Promotion in Porous Organic Cages |
| Authors of publication | Liu, Chao; Du, Ziwei; Ding, Xu; Wang, Zhixuan; Cao, Lili; Zhou, Ziwen; Chen, Jia; Zhang, Ning |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 19.6339 ± 0.001 Å |
| b | 19.6339 ± 0.001 Å |
| c | 26.1675 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8735.9 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 144 |
| Hermann-Mauguin space group symbol | P 31 |
| Hall space group symbol | P 31 |
| Residual factor for all reflections | 0.1996 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for significantly intense reflections | 0.2189 |
| Weighted residual factors for all reflections included in the refinement | 0.2805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 302977 (current) | 2025-10-24 | cif/ Adding structures of 7135104 via cif-deposit CGI script. |
7135104.cif |
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Users of the data should acknowledge the original authors of the
structural data.