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Information card for entry 1574702
Preview
| Coordinates | 1574702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H42 O7 P2 S2 |
|---|---|
| Calculated formula | C48 H42 O7 P2 S2 |
| Title of publication | Flexible phosphonium and sulfonate pair-to-pair self-assembled ionic organic single crystals for iodine capture |
| Authors of publication | Sun, Mingxia; Chen, Jia; Zhang, Ting; Xu, Wei; He, Jing; Zhang, Yunyun; Liu, Huifeng; Zhang, Shuang; Wang, Juanjuan; Li, Xin; Yang, Yali; Qiu, Hongdeng |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 9.2113 ± 0.0008 Å |
| b | 13.5991 ± 0.0011 Å |
| c | 17.3584 ± 0.0014 Å |
| α | 98.176 ± 0.001° |
| β | 93.192 ± 0.001° |
| γ | 106.95 ± 0.001° |
| Cell volume | 2047.9 ± 0.3 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299797 (current) | 2025-05-24 | cif/ Adding structures of 1574702, 1574703, 1574704, 1574705 via cif-deposit CGI script. |
1574702.cif |
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Users of the data should acknowledge the original authors of the
structural data.