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Information card for entry 7214919
Preview
| Coordinates | 7214919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Ca2 Cl4 N20 O11 |
|---|---|
| Calculated formula | C30 H30 Ca2 Cl3.9985 N20 O11 |
| Title of publication | p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril |
| Authors of publication | Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 23 |
| Pages of publication | 8049 |
| a | 32.7209 ± 0.0015 Å |
| b | 19.4444 ± 0.0009 Å |
| c | 32.739 ± 0.002 Å |
| α | 90° |
| β | 115.904 ± 0.002° |
| γ | 90° |
| Cell volume | 18737 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1753 |
| Residual factor for significantly intense reflections | 0.1015 |
| Weighted residual factors for significantly intense reflections | 0.2591 |
| Weighted residual factors for all reflections included in the refinement | 0.2911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180480 (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 7/21/49. |
7214919.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 {}' |
7214919.cif |
| 110996 | 2014-04-20 | cif/ Adding structures of 7214919, 7214920, 7214921, 7214922 via cif-deposit CGI script. |
7214919.cif |
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