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Information card for entry 7205981
Preview
| Coordinates | 7205981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H46 Cu Hg I4 N4 O3 S2 |
|---|---|
| Calculated formula | C30 H46 Cu Hg I4 N4 O3 S2 |
| SMILES | c12c(cccc1)N1C(N2CCCC)=[Cu]23([I][Hg](I)([I]2)I)[O](CC1)CCN1c2c(cccc2)N(C=31)CCCC.O=S(C)C.O=S(C)C |
| Title of publication | Mercury(ii), copper(ii) and silver(i) complexes with ether or diether functionalized bis-NHC ligands: synthesis and structural studies |
| Authors of publication | Liu, Qing-Xiang; Yu, Jie; Zhao, Xiao-Jun; Liu, Shu-Weng; Yang, Xiao-Qiong; Li, Kang-Ying; Wang, Xiu-Guang |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 12 |
| Pages of publication | 4086 |
| a | 20.465 ± 0.006 Å |
| b | 11.488 ± 0.004 Å |
| c | 19.833 ± 0.009 Å |
| α | 90° |
| β | 115.192 ± 0.004° |
| γ | 90° |
| Cell volume | 4219 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1232 |
| Residual factor for significantly intense reflections | 0.0753 |
| Weighted residual factors for significantly intense reflections | 0.1843 |
| Weighted residual factors for all reflections included in the refinement | 0.2161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180390 (current) | 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 7/20/59. |
7205981.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 {}' |
7205981.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205981.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205981.cif |
| 21303 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7205979, 7205980, 7205981, 7205982, 7205983, 7205984 via cif-deposit CGI script. |
7205981.cif |
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Users of the data should acknowledge the original authors of the
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