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Information card for entry 7709158
Preview
| Coordinates | 7709158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H8 N4 |
|---|---|
| Calculated formula | C11 H8 N4 |
| SMILES | n1c(n2ncc3ccncc23)cccc1 |
| Title of publication | Ligand isomerism fine-tunes structure and stability in zinc complexes of fused pyrazolopyridines |
| Authors of publication | Swarbrook, Amelia M.; Weekes, Rohan J.; Goodwin, Jack W.; Hawes, Chris S. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 6.9365 ± 0.0003 Å |
| b | 10.1955 ± 0.0005 Å |
| c | 12.7905 ± 0.0006 Å |
| α | 90° |
| β | 99.289 ± 0.001° |
| γ | 90° |
| Cell volume | 892.7 ± 0.07 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271593 (current) | 2021-12-23 | cif/ Adding structures of 7709157, 7709158, 7709159, 7709160, 7709161, 7709162, 7709163, 7709164, 7709165, 7709166, 7709167 via cif-deposit CGI script. |
7709158.cif |
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Users of the data should acknowledge the original authors of the
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