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Information card for entry 7056164
Preview
| Coordinates | 7056164.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H11 N7 |
|---|---|
| Calculated formula | C17 H11 N7 |
| SMILES | c1(cccc(n1)c1nnn2ccccc12)c1c2ccccn2nn1 |
| Title of publication | Synthesis of New Terpyridine-like ligands based on Triazolopyridines and Benzotriazoles |
| Authors of publication | Cabrero-Antonino, Maria; Ballesteros-Garrido, Rafael; Chiassai, Leonardo; Escrivá, Emilio; Ramirez de Arellano, Carmen; Ballesteros, Rafael; Abarca, Belén |
| Journal of publication | New J. Chem. |
| Year of publication | 2017 |
| a | 12.633 ± 0.003 Å |
| b | 9.977 ± 0.002 Å |
| c | 12.085 ± 0.002 Å |
| α | 90° |
| β | 112.39 ± 0.03° |
| γ | 90° |
| Cell volume | 1408.4 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196611 (current) | 2017-05-10 | cif/ Adding structures of 7056164, 7056165 via cif-deposit CGI script. |
7056164.cif |
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