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Information card for entry 7216371
Preview
| Coordinates | 7216371.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H78 Cl2 Mn N12 O8 |
|---|---|
| Calculated formula | C78 H78 Cl2 Mn N12 O8 |
| 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 | 13.4688 ± 0.0012 Å |
| b | 13.4688 ± 0.0012 Å |
| c | 10.4961 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1649 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 147 |
| Hermann-Mauguin space group symbol | P -3 |
| Hall space group symbol | -P 3 |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1039 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
7216371.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 {}' |
7216371.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. |
7216371.cif |
| 115573 | 2014-06-04 | cif/ Adding structures of 7216371, 7216372, 7216373, 7216374, 7216375, 7216376 via cif-deposit CGI script. |
7216371.cif |
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