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Information card for entry 7213672
Preview
| Coordinates | 7213672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H29 Cu N7 O9 |
|---|---|
| Calculated formula | C27 H29 Cu N7 O9 |
| Title of publication | Copper(ii) and cobalt(ii) complexes based on bis-benzimidazolyl ligand with 1,2-bis(2′-ethoxy)phenyl linker: synthesis, crystal structure and conformations |
| Authors of publication | Liu, Qing-Xiang; Bi, Yue; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Jian-Hua; Wang, Xiu-Guang |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 10 |
| Pages of publication | 1950 |
| a | 10.3233 ± 0.0006 Å |
| b | 10.9891 ± 0.0006 Å |
| c | 13.3452 ± 0.0008 Å |
| α | 79.573 ± 0.001° |
| β | 85.122 ± 0.001° |
| γ | 75.565 ± 0.001° |
| Cell volume | 1440.66 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0321 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7213672.cif |
| 180467 | 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 7/21/36. |
7213672.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 {}' |
7213672.cif |
| 105152 | 2014-03-11 | cif/ Adding structures of 7213670, 7213671, 7213672, 7213673, 7213674, 7213675, 7213676 via cif-deposit CGI script. |
7213672.cif |
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Users of the data should acknowledge the original authors of the
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