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Information card for entry 7216672
Preview
| Coordinates | 7216672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H5 K La N4 O10.5 S2 |
|---|---|
| Calculated formula | C8 H5 K La N4 O10.5 S2 |
| Title of publication | Rational design and synthesis of a series of 3D lanthanide metal‒organic frameworks with different structures driven by reaction conditions |
| Authors of publication | Zhao, Tingting; Zhang, Lirong; Wang, Dongmei; Li, Guanghua; Huo, Qisheng; Liu, Yunling |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 44 |
| Pages of publication | 10181 |
| a | 18.175 ± 0.003 Å |
| b | 8.3359 ± 0.0014 Å |
| c | 20.6 ± 0.004 Å |
| α | 90° |
| β | 91.868 ± 0.003° |
| γ | 90° |
| Cell volume | 3119.3 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0253 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0499 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7216672.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 {}' |
7216672.cif |
| 126357 | 2014-11-06 | cif/ Updating files of 7216672, 7216673, 7216674, 7216675, 7216676, 7216677, 7216678, 7216679, 7216680, 7216681, 7216682, 7216683 Original log message: Adding full bibliography for 7216672--7216683.cif. |
7216672.cif |
| 117768 | 2014-06-17 | cif/ Adding structures of 7216672, 7216673, 7216674, 7216675, 7216676, 7216677, 7216678, 7216679, 7216680, 7216681, 7216682, 7216683 via cif-deposit CGI script. |
7216672.cif |
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Users of the data should acknowledge the original authors of the
structural data.