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Information card for entry 7241000
Preview
| Coordinates | 7241000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H39 F12 I6 N3 O3 |
|---|---|
| Calculated formula | C71 H39 F12 I6 N3 O3 |
| Title of publication | Locked guest PAHs by soft‒cavity‒type host assembled via halogen bond to form luminescent cocrystals |
| Authors of publication | Wu, Wen Xin; Wang, Hui; Jin, Wei Jun |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 18.9947 ± 0.0005 Å |
| b | 16.3335 ± 0.0003 Å |
| c | 21.992 ± 0.0005 Å |
| α | 90° |
| β | 111.263 ± 0.003° |
| γ | 90° |
| Cell volume | 6358.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0449 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254824 (current) | 2020-08-05 | cif/ Adding structures of 7240997, 7240998, 7240999, 7241000, 7241001, 7241002 via cif-deposit CGI script. |
7241000.cif |
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Users of the data should acknowledge the original authors of the
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