Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7053105
Preview
| Coordinates | 7053105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 Cd N5 O9 S2 |
|---|---|
| Calculated formula | C20 H14 Cd N4 O4 S2 |
| Title of publication | Two three-dimensional metal‒organic frameworks constructed by thiazole-spaced pyridinecarboxylates exhibiting selective gas sorption or antiferromagnetic coupling |
| Authors of publication | zhou, Xiaojing; Zhang, Zhijuan; Li, Baiyan; Yang, Fen; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Li, Jing |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2013 |
| Journal volume | 37 |
| Journal issue | 2 |
| Pages of publication | 425 |
| a | 9.2067 ± 0.0018 Å |
| b | 19.017 ± 0.004 Å |
| c | 16.825 ± 0.003 Å |
| α | 90° |
| β | 100.56 ± 0.03° |
| γ | 90° |
| Cell volume | 2895.9 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0716 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.865 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180085 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/31. |
7053105.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 {}' |
7053105.cif |
| 90096 | 2013-11-17 | cif/ Adding structures of 7053105, 7053106 via cif-deposit CGI script. |
7053105.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.