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Information card for entry 4338874
Preview
| Coordinates | 4338874.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H19 Ag N3 O4.5 S |
|---|---|
| Calculated formula | C16 H16 Ag N3 O4.5 S |
| Title of publication | Structural study of silver(I) sulfonate complexes with pyrazine derivatives. |
| Authors of publication | Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Song, Shu-Yan; Yang, Jin; Liu, Ying-Ying; Su, Zhong-Min |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 18 |
| Pages of publication | 7299 - 7311 |
| a | 21.949 ± 0.007 Å |
| b | 21.949 ± 0.007 Å |
| c | 20.22 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8436 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0869 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4338874.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 {}' |
4338874.cif |
| 116975 | 2014-06-14 | cif/ Adding structures of 4338867, 4338868, 4338869, 4338870, 4338871, 4338872, 4338873, 4338874, 4338875, 4338876, 4338877 via cif-deposit CGI script. |
4338874.cif |
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Users of the data should acknowledge the original authors of the
structural data.