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Information card for entry 1564356
Preview
| Coordinates | 1564356.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C140 H150 Br18.56 Cl0.44 N6 O36 |
|---|---|
| Calculated formula | C140 H150 Br18.55 Cl0.45 N6 O36 |
| Title of publication | Trimacrocyclic hexasubstituted benzene linked by labile octahedral [X(CHCl3)6]‒ clusters |
| Authors of publication | Lai, Zhenzhen; Li, Aimin; Peng, Sangshan; Sessler, Jonathan L.; He, Qing |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 21.8356 ± 0.0001 Å |
| b | 21.8356 ± 0.0001 Å |
| c | 27.6959 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 11436.1 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.4 K |
| Ambient diffraction temperature | 100 ± 0.4 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.0848 |
| Weighted residual factors for significantly intense reflections | 0.1964 |
| Weighted residual factors for all reflections included in the refinement | 0.1965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268055 (current) | 2021-08-13 | cif/ Adding structures of 1564355, 1564356, 1564357, 1564358, 1564359 via cif-deposit CGI script. |
1564356.cif |
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