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Information card for entry 7710181
Preview
| Coordinates | 7710181.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H66 N13 O7.5 |
|---|---|
| Calculated formula | C60 H66 N13 O7.5 |
| Title of publication | A caged tris(2-pyridylmethyl)amine ligand equipped with a Ctriazole-H hydrogen bonding cavity. |
| Authors of publication | Qiu, Gege; Diao, Donglin; Chaussy, Leo; Chevallier-Michaud, Sabine; Simaan, A. Jalila; Nava, Paola; Martinez, Alexandre; Colomban, Cedric |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 9.7425 ± 0.0002 Å |
| b | 15.3879 ± 0.0003 Å |
| c | 20.5147 ± 0.0005 Å |
| α | 106.615 ± 0.002° |
| β | 95.925 ± 0.002° |
| γ | 102.708 ± 0.002° |
| Cell volume | 2829.13 ± 0.12 Å3 |
| Cell temperature | 203 ± 0.1 K |
| Ambient diffraction temperature | 203 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0863 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1529 |
| Weighted residual factors for all reflections included in the refinement | 0.1726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 274899 (current) | 2022-05-05 | cif/ Adding structures of 7710181, 7710182 via cif-deposit CGI script. |
7710181.cif |
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Users of the data should acknowledge the original authors of the
structural data.