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Information card for entry 2019886
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| Coordinates | 2019886.cif |
|---|---|
| Structure factors | 2019886.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1) |
|---|---|
| Formula | C12 H11 Cl N2 O8 |
| Calculated formula | C12 H11 Cl N2 O8 |
| Title of publication | Reversible phase transition of 2-carboxypyridinium perchlorate‒pyridinium-2-carboxylate (1/1) |
| Authors of publication | Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Yun-Hua; Sun, Jing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 4 |
| a | 10.252 ± 0.002 Å |
| b | 5.8362 ± 0.0012 Å |
| c | 12.656 ± 0.003 Å |
| α | 90° |
| β | 106.29 ± 0.03° |
| γ | 90° |
| Cell volume | 726.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0824 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.2523 |
| Weighted residual factors for all reflections included in the refinement | 0.2578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019886.cif 2019886.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019886.cif 2019886.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019886.cif 2019886.hkl |
| 133788 | 2015-03-11 | cif/ hkl/ Adding structures of 2019886, 2019887 via cif-deposit CGI script. |
2019886.cif 2019886.hkl |
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Users of the data should acknowledge the original authors of the
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