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Information card for entry 7234913
Preview
| Coordinates | 7234913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H11 Cl N2 O6 |
|---|---|
| Calculated formula | C8 H11 Cl N2 O6 |
| SMILES | Cl(=O)(=O)(=O)[O-].[O-]C(=O)[C@@H]([NH3+])Cc1[nH+]cccc1 |
| Title of publication | Strong piezoelectricity in [H-beta-(2-pyridyl)-Ala-OH][BF4] and [H-beta-(2-pyridyl)-Ala-OH][ClO4] - new amino acid based hybrid crystals |
| Authors of publication | Maciej Wojtas; Anna Gagor; Andrei L. Kholkin |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2016 |
| Journal volume | 4 |
| Pages of publication | 7622 - 7631 |
| a | 5.3294 ± 0.0002 Å |
| b | 10.3097 ± 0.0005 Å |
| c | 19.2218 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1056.13 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 222668 (current) | 2019-11-04 | cif/ Adding structures of 7234913, 7234914, 7234915 via cif-deposit CGI script. |
7234913.cif |
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Users of the data should acknowledge the original authors of the
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