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Information card for entry 7210772
Preview
| Coordinates | 7210772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H124 Cl10 N28 O55 Pr2 Zn2 |
|---|---|
| Calculated formula | C42 H42 Cl10 N28 O26 Pr2 Zn2 |
| Title of publication | Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations |
| Authors of publication | Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 19 |
| Pages of publication | 3943 |
| a | 16.8979 ± 0.0014 Å |
| b | 17.2593 ± 0.0015 Å |
| c | 20.3082 ± 0.0017 Å |
| α | 98.015 ± 0.003° |
| β | 112.613 ± 0.003° |
| γ | 109.997 ± 0.003° |
| Cell volume | 4880.8 ± 0.8 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for significantly intense reflections | 0.2524 |
| Weighted residual factors for all reflections included in the refinement | 0.2679 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180438 (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 7/21/07. |
7210772.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 {}' |
7210772.cif |
| 90119 | 2013-11-17 | cif/ Adding structures of 7210768, 7210769, 7210770, 7210771, 7210772, 7210773, 7210774, 7210775, 7210776, 7210777, 7210778 via cif-deposit CGI script. |
7210772.cif |
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