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Information card for entry 7205169
Preview
| Coordinates | 7205169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H52 Cl6 N4 O2 Pd2 S2 |
|---|---|
| Calculated formula | C36 H52 Cl6 N4 O2 Pd2 S2 |
| SMILES | C(n1c2ccccc2[n+](c1)Cc1c(C)c(c(C[n+]2c3c(cccc3)n(CCC)c2)c(C)c1C)C)CC.Cl[Pd](Cl)([S](=O)(C)C)Cl.O=[S](C)(C)[Pd](Cl)(Cl)Cl |
| Title of publication | N-Heterocyclic carbene copper(i), mercury(ii) and silver(i) complexes containing durene linker: synthesis and structural studies |
| Authors of publication | Liu, Qing-Xiang; Chen, Ai-Hui; Zhao, Xiao-Jun; Zang, Yan; Wu, Xiu-Mei; Wang, Xiu-Guang; Guo, Jian-Hua |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 293 |
| a | 8.885 ± 0.0011 Å |
| b | 10.6269 ± 0.0013 Å |
| c | 13.0417 ± 0.0016 Å |
| α | 78.793 ± 0.002° |
| β | 80.799 ± 0.002° |
| γ | 66.276 ± 0.002° |
| Cell volume | 1101.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1756 |
| Weighted residual factors for all reflections included in the refinement | 0.1845 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7205169.cif |
| 180382 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51. |
7205169.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 {}' |
7205169.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205169.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205169.cif |
| 14563 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205161, 7205162, 7205163, 7205164, 7205165, 7205166, 7205167, 7205168, 7205169 via cif-deposit CGI script. |
7205169.cif |
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Users of the data should acknowledge the original authors of the
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