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Information card for entry 4506173
Preview
| Coordinates | 4506173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tl(4PCO) |
|---|---|
| Chemical name | Thallium(I) 4-pyridylcyanoximate |
| Formula | C7 H4 N3 O Tl |
| Calculated formula | C7 H4 N3 O Tl |
| Title of publication | Synthesis, Characterization, and Studies of Coordination-Polymeres With Isomeric Pyridylcyanoximes: Route to Metal Ribbons With Very Short Tl···Tl Separations |
| Authors of publication | Marcano, Daniela; Gerasimchuk, Nikolay; Nemykin, Victor; Silchenko, Svitlana |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 6 |
| Pages of publication | 2877 |
| a | 3.899 ± 0.0004 Å |
| b | 12.38 ± 0.0013 Å |
| c | 16.7563 ± 0.0017 Å |
| α | 90° |
| β | 93.536 ± 0.002° |
| γ | 90° |
| Cell volume | 807.28 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0822 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1401 |
| Weighted residual factors for all reflections included in the refinement | 0.1533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179597 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/61. |
4506173.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 {}' |
4506173.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506173.cif |
| 62164 | 2012-07-07 | cif/ Adding structures of 4506170, 4506171, 4506172, 4506173 via cif-deposit CGI script. |
4506173.cif |
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Users of the data should acknowledge the original authors of the
structural data.