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Information card for entry 7205053
Preview
| Coordinates | 7205053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H7 Br Cd N6 O2 |
|---|---|
| Calculated formula | C5 H7 Br Cd N6 O2 |
| Title of publication | Diverse mixed-ligand metal complexes with in situ generated 5-(pyrazinyl)tetrazolate chelating-bridging ligand: in situ synthesis, crystal structures, magnetic and luminescent properties |
| Authors of publication | Yang, En-Cui; Feng, Yan; Liu, Zhong-Yi; Liu, Tian-Yu; Zhao, Xiao-Jun |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 1 |
| Pages of publication | 230 |
| a | 7.4195 ± 0.0011 Å |
| b | 13.9422 ± 0.0019 Å |
| c | 9.9089 ± 0.0014 Å |
| α | 90° |
| β | 95.093 ± 0.002° |
| γ | 90° |
| Cell volume | 1021 ± 0.3 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180381 (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 7/20/50. |
7205053.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 {}' |
7205053.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205053.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205053.cif |
| 14538 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205047, 7205048, 7205049, 7205050, 7205051, 7205052, 7205053, 7205054, 7205055 via cif-deposit CGI script. |
7205053.cif |
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Users of the data should acknowledge the original authors of the
structural data.