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Information card for entry 1574479
Preview
| Coordinates | 1574479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 Cu F6 N8 Si |
|---|---|
| Calculated formula | C31 H29 Cu F6 N8 Si |
| Title of publication | A new type of C2H2 binding site in a cis-bridging hexafluorosilicate ultramicroporous material that offers trace C2H2 capture |
| Authors of publication | Song, Bai-Qiao; Gao, Mei-Yan; Mercene van Wyk, Lisa; Deng, Cheng-Hua; Eaby, Alan C.; Wang, Shi-Qiang; Darwish, Shaza; Li, Dan; Qin, Shao-Jie; Peng, Yun-Lei; Yang, Qing-Yuan; Barbour, Leonard J.; Zaworotko, Michael J. |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 9010 - 9019 |
| a | 12.5344 ± 0.0002 Å |
| b | 13.1083 ± 0.0003 Å |
| c | 13.456 ± 0.0003 Å |
| α | 60.939 ± 0.002° |
| β | 77.661 ± 0.002° |
| γ | 62.396 ± 0.002° |
| Cell volume | 1712.38 ± 0.08 Å3 |
| Cell temperature | 99.98 ± 0.1 K |
| Ambient diffraction temperature | 99.98 ± 0.1 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1236 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300627 (current) | 2025-07-06 | cif/ Updating files of 1574477, 1574478, 1574479, 1574480, 1574481, 1574482, 1574483 Original log message: Adding full bibliography for 1574477--1574483.cif. |
1574479.cif |
| 299371 | 2025-04-24 | cif/ Adding structures of 1574477, 1574478, 1574479, 1574480, 1574481, 1574482, 1574483 via cif-deposit CGI script. |
1574479.cif |
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Users of the data should acknowledge the original authors of the
structural data.