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Information card for entry 7219147
Preview
| Coordinates | 7219147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H32 Cl10 Hg5 N4 O2 |
|---|---|
| Calculated formula | C27 H32 Cl10 Hg5 N4 O2 |
| SMILES | [Hg](Cl)=C1N(CC)C=CN1Cc1c(OCCCOc2c(cccc2)CN2C=CN(C2=[Hg]Cl)CC)cccc1.[Hg]1([Cl]2[Hg](Cl)(Cl)[Cl][Hg]2([Cl]1)Cl)(Cl)Cl |
| 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 | 14.416 ± 0.0012 Å |
| b | 15.8007 ± 0.0013 Å |
| c | 23.0337 ± 0.0014 Å |
| α | 90° |
| β | 127.396 ± 0.003° |
| γ | 90° |
| Cell volume | 4168.3 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
7219147.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. |
7219147.cif |
| 132314 | 2015-02-23 | cif/7/21/ (antanas@koala.ibt.lt) Updating bibliography for CIFs 7219144, 7219145, 7219146, 7219147, 7219148, 7219149, 7219150, 7219151. |
7219147.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 {}' |
7219147.cif |
| 129008 | 2014-12-23 | cif/ Adding structures of 7219144, 7219145, 7219146, 7219147, 7219148, 7219149, 7219150, 7219151 via cif-deposit CGI script. |
7219147.cif |
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