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Information card for entry 7124716
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| Coordinates | 7124716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris-(4-methylthiazolyl)cyclotriguaiacylene nitromethane clathrate |
|---|---|
| Formula | C39 H42 N6 O12 S3 |
| Calculated formula | C39 H42 N6 O12 S3 |
| Title of publication | M12L8 metallo-supramolecular cube with cyclotriguaiacylene-type ligand: spontaneous resolution of cube and its constituent host ligand. |
| Authors of publication | Fowler, Jonathan M.; Thorp-Greenwood, Flora L; Warriner, Stuart L.; Willans, Charlotte E.; Hardie, Michaele J. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 56 |
| Pages of publication | 8699 - 8702 |
| a | 28.138 ± 0.003 Å |
| b | 28.138 ± 0.003 Å |
| c | 4.4445 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3047.5 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0965 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1663 |
| Weighted residual factors for all reflections included in the refinement | 0.1873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| 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 |
|---|---|---|---|
| 234157 (current) | 2019-11-23 | cif/ Adding structures of 7124713, 7124714, 7124715, 7124716 via cif-deposit CGI script. |
7124716.cif |
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