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Information card for entry 7710182
Preview
| Coordinates | 7710182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C174 H162 Cu3 F18 N42 O36 S6 |
|---|---|
| Calculated formula | C174 H162 Cu3 F18 N42 O36 S6 |
| 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 | 13.8182 ± 0.0001 Å |
| b | 24.6077 ± 0.0003 Å |
| c | 34.2051 ± 0.0004 Å |
| α | 87.51 ± 0.001° |
| β | 86.765 ± 0.001° |
| γ | 81.936 ± 0.001° |
| Cell volume | 11490.1 ± 0.2 Å3 |
| Cell temperature | 203.01 ± 0.1 K |
| Ambient diffraction temperature | 203.01 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0696 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1576 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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. |
7710182.cif |
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Users of the data should acknowledge the original authors of the
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