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Information card for entry 7207191
Preview
| Coordinates | 7207191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H62 Cl4 N4 O2 Zn |
|---|---|
| Calculated formula | C36 H62 Cl4 N4 O2 Zn |
| SMILES | C(=O)(N)c1c[n+](CCCCCCCCCCCC)ccc1.Cl[Zn](Cl)([Cl-])[Cl-].C(=O)(c1c[n+](CCCCCCCCCCCC)ccc1)N |
| Title of publication | Ionic liquid crystal engineering of 3-carbamoyl-1-alkylpyridin-1-ium tetrachlorocuprate(II) and tetrachlorozincate(II) salts |
| Authors of publication | Su, Chien-Cheng; Lee, Kwang-Ming |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 4 |
| Pages of publication | 1283 |
| a | 6.8484 ± 0.0003 Å |
| b | 36.7066 ± 0.0014 Å |
| c | 8.289 ± 0.0003 Å |
| α | 90° |
| β | 105.25 ± 0.002° |
| γ | 90° |
| Cell volume | 2010.33 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180402 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/71. |
7207191.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7207191.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207191.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207191.cif |
| 32500 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7207190, 7207191 via cif-deposit CGI script. |
7207191.cif |
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