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Information card for entry 7216372
Preview
| Coordinates | 7216372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H32 Cu N4 O7 S |
|---|---|
| Calculated formula | C26 H32 Cu N4 O7 S |
| Title of publication | Preparation, crystal structures and conformations of six complexes based on 1,4-bis(benzimidazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene |
| Authors of publication | Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Bi, Yue; Yu, Jie; Wang, Xiu-Guang |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 30 |
| Pages of publication | 7023 |
| a | 12.608 ± 0.002 Å |
| b | 13.831 ± 0.003 Å |
| c | 17.334 ± 0.002 Å |
| α | 90° |
| β | 119.575 ± 0.009° |
| γ | 90° |
| Cell volume | 2628.9 ± 0.8 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 | 0.0776 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180494 (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 7/21/63. |
7216372.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 {}' |
7216372.cif |
| 121589 | 2014-08-08 | cif/ Updating files of 7216371, 7216372, 7216373, 7216374, 7216375, 7216376 Original log message: Adding full bibliography for 7216371--7216376.cif. |
7216372.cif |
| 115573 | 2014-06-04 | cif/ Adding structures of 7216371, 7216372, 7216373, 7216374, 7216375, 7216376 via cif-deposit CGI script. |
7216372.cif |
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Users of the data should acknowledge the original authors of the
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