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Information card for entry 7220495
Preview
| Coordinates | 7220495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H16 K Li O11 |
|---|---|
| Calculated formula | C16 H16 K Li O11 |
| Title of publication | Synthesis, growth, structure and characterization of potassium lithium hydrogen phthalate mixed crystals |
| Authors of publication | Meenakshisundaram, SP.; Manonmoni, J. Vijila; Ramasamy, G.; Amutha, M.; Prasad, A. Aditya |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 9.4866 ± 0.0003 Å |
| b | 6.769 ± 0.0002 Å |
| c | 15.3967 ± 0.0005 Å |
| α | 90° |
| β | 105.73 ± 0.003° |
| γ | 90° |
| Cell volume | 951.67 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0256 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0666 |
| Weighted residual factors for all reflections included in the refinement | 0.0676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220495.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7220495.cif |
| 136944 | 2015-05-19 | cif/ Adding structures of 7220495 via cif-deposit CGI script. |
7220495.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.