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Information card for entry 4516501
Preview
| Coordinates | 4516501.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H4 K2 O4 |
|---|---|
| Calculated formula | C6 H4 K2 O4 |
| SMILES | C(=O)(/C=C/C=C/C(=O)[O-])[O-].[K+].[K+] |
| Title of publication | Solid State Packing and Photoreactivity of Alkali Metal Salts oftrans,trans-Muconate |
| Authors of publication | Kole, Goutam Kumar; Chanthapally, Anjana; Tan, Geok Kheng; Vittal, Jagadese J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5555 |
| a | 10.765 ± 0.002 Å |
| b | 3.9739 ± 0.0007 Å |
| c | 11.261 ± 0.002 Å |
| α | 90° |
| β | 117.978 ± 0.002° |
| γ | 90° |
| Cell volume | 425.43 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0382 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231347 (current) | 2019-11-22 | cif/ Adding structures of 4516501 via cif-deposit CGI script. |
4516501.cif |
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Users of the data should acknowledge the original authors of the
structural data.