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Information card for entry 7207644
Preview
| Coordinates | 7207644.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H30 Cu N26 O2 |
|---|---|
| Calculated formula | C10 H30 Cu N26 O2 |
| Title of publication | Unusual π−‒π− stacking interactions between 5,5′-azotetrazolate(AT) anions in six AT based 3d metal photochromic complexes |
| Authors of publication | Lin, Jiao-Min; Qiu, Yan-Xuan; Chen, Wen-Bin; Yang, Meng; Zhou, Ai-Ju; Dong, Wen; Tian, Chang-En |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2779 |
| a | 23.9938 ± 0.0005 Å |
| b | 7.2021 ± 0.0002 Å |
| c | 14.5155 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2508.36 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.045 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0813 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.831 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180407 (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 7/20/76. |
7207644.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 {}' |
7207644.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207644.cif |
| 52056 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207644, 7207645, 7207646, 7207647, 7207648 via cif-deposit CGI script. |
7207644.cif |
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Users of the data should acknowledge the original authors of the
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