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Information card for entry 2105662
Preview
| Coordinates | 2105662.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Br4 Cs2 Hg |
|---|---|
| Calculated formula | Br4 Cs2 Hg |
| SMILES | [Hg](Br)(Br)([Br-])[Br-].[Cs+].[Cs+] |
| Title of publication | Structural Analysis of Cs~2~HgBr~4~ in Normal, Incommensurate and Twinned Phases |
| Authors of publication | Pinheiro, C. B.; Jório, A.; Pimenta, M. A.; Speziali, N. L. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 197 - 203 |
| a | 10.231 ± 0.001 Å |
| b | 7.873 ± 0.001 Å |
| c | 13.906 ± 0.001 Å |
| α | 90 ± 0.007° |
| β | 90° |
| γ | 90° |
| Cell volume | 1120.1 ± 0.2 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 21/n 1 1 |
| Hall space group symbol | -P 2xn |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0411 |
| Goodness-of-fit parameter for significantly intense reflections | 1.42 |
| Diffraction radiation wavelength | 0.5608 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176768 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105662.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 {}' |
2105662.cif |
| 90944 | 2013-11-21 | cif/ Adding structures of 2105658, 2105659, 2105660, 2105661, 2105662 via cif-deposit CGI script. |
2105662.cif |
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Users of the data should acknowledge the original authors of the
structural data.