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Information card for entry 7205168
Preview
| Coordinates | 7205168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C40 H41 Br2 N7 |
|---|---|
| Calculated formula | C40 H41 Br2 N7 |
| SMILES | [Br-].[Br-].n1c(cccc1)Cn1c2c([n+](c1)Cc1c(c(c(c(c1C)C)Cn1c3c([n+](c1)Cc1ncccc1)cccc3)C)C)cccc2.N#CC |
| 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 | 14.7807 ± 0.0007 Å |
| b | 14.6784 ± 0.0007 Å |
| c | 18.5397 ± 0.0009 Å |
| α | 90° |
| β | 111.032 ± 0.001° |
| γ | 90° |
| Cell volume | 3754.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0675 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7205168.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7205168.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. |
7205168.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 {}' |
7205168.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205168.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205168.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. |
7205168.cif |
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Users of the data should acknowledge the original authors of the
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