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Information card for entry 7219150
Preview
| Coordinates | 7219150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H40 Cl2 Hg N6 O3 |
|---|---|
| Calculated formula | C43 H40 Cl2 Hg N6 O3 |
| Title of publication | Structures of NHC Hg(ii) and Ag(i) complexes and selective recognition of nitrate anion |
| Authors of publication | Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Wei, Qing; Chen, Ai-Hui; Li, Hui-Long; Wang, Xiu-Guang |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 6 |
| Pages of publication | 1358 |
| a | 14.5037 ± 0.0006 Å |
| b | 14.5037 ± 0.0006 Å |
| c | 18.1126 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3810.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0235 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.0545 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180522 (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 7/21/91. |
7219150.cif |
| 133194 | 2015-03-06 | cif/ Updating files of 7219144, 7219145, 7219146, 7219147, 7219148, 7219149, 7219150, 7219151 Original log message: Adding full bibliography for 7219144--7219151.cif. |
7219150.cif |
| 132314 | 2015-02-23 | cif/7/21/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 7219144, 7219145, 7219146, 7219147, 7219148, 7219149, 7219150, 7219151. |
7219150.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 {}' |
7219150.cif |
| 129008 | 2014-12-23 | cif/ Adding structures of 7219144, 7219145, 7219146, 7219147, 7219148, 7219149, 7219150, 7219151 via cif-deposit CGI script. |
7219150.cif |
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