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Information card for entry 7211362
Preview
| Coordinates | 7211362.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 Cl2 N5 S Zn |
|---|---|
| Calculated formula | C14 H13 Cl2 N5 S Zn |
| Title of publication | Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles |
| Authors of publication | Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 48 |
| Pages of publication | 10451 |
| a | 9.1365 ± 0.001 Å |
| b | 13.0198 ± 0.0015 Å |
| c | 13.8696 ± 0.0016 Å |
| α | 90° |
| β | 92.449 ± 0.002° |
| γ | 90° |
| Cell volume | 1648.4 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0444 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180444 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13. |
7211362.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 {}' |
7211362.cif |
| 91444 | 2013-12-13 | cif/ Adding structures of 7211358, 7211359, 7211360, 7211361, 7211362, 7211363 via cif-deposit CGI script. |
7211362.cif |
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Users of the data should acknowledge the original authors of the
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