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Information card for entry 7212576
Preview
| Coordinates | 7212576.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Cu I N4 |
|---|---|
| Calculated formula | C12 H10 Cu I N4 |
| Title of publication | Controllable assembly of copper(i)-iodide coordination polymers by tecton design of benzotriazol-1-yl-based pyridyl ligands: from 2D layer to 3D self-penetrating or homochiral networks |
| Authors of publication | Fang, Shao-Ming; Zhang, Qiang; Hu, Min; Xiao, Bo; Zhou, Li-Ming; Sun, Guang-Hui; Gao, Li-Jun; Du, Miao; Liu, Chun-Sen |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 7 |
| Pages of publication | 2203 |
| a | 8.4509 ± 0.0003 Å |
| b | 16.1974 ± 0.0004 Å |
| c | 9.8423 ± 0.0004 Å |
| α | 90° |
| β | 106.324 ± 0.004° |
| γ | 90° |
| Cell volume | 1292.93 ± 0.08 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0266 |
| Weighted residual factors for all reflections included in the refinement | 0.0273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180456 (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 7/21/25. |
7212576.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 {}' |
7212576.cif |
| 93127 | 2014-01-12 | cif/ Adding structures of 7212576, 7212577, 7212578 via cif-deposit CGI script. |
7212576.cif |
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Users of the data should acknowledge the original authors of the
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