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Information card for entry 7207939
Preview
| Coordinates | 7207939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H14 Cl N O4 |
|---|---|
| Calculated formula | C9 H14 Cl N O4 |
| SMILES | Cl(=O)(=O)(=O)[O-].c1([NH3+])c(cc(cc1C)C)C |
| Title of publication | Ferroelastic phase transition and dielectric anomalies in 2,4,6-trimethylanilinium perchlorate |
| Authors of publication | Zhang, Yi; Awaga, Kunio; Yoshikawa, Hirofumi; Xiong, Ren-Gen |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 19 |
| Pages of publication | 9841 |
| a | 7.1581 ± 0.0014 Å |
| b | 8.5937 ± 0.0017 Å |
| c | 9.0642 ± 0.0018 Å |
| α | 88.74 ± 0.03° |
| β | 79.19 ± 0.03° |
| γ | 87.02 ± 0.03° |
| Cell volume | 546.9 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0979 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.2001 |
| Weighted residual factors for all reflections included in the refinement | 0.2151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207939.cif |
| 198633 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7207939.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7207939.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207939.cif |
| 56053 | 2012-05-08 | cif/ Adding structures of 7207938, 7207939 via cif-deposit CGI script. |
7207939.cif |
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Users of the data should acknowledge the original authors of the
structural data.