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Information card for entry 4331791
Preview
| Coordinates | 4331791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H47 La2 N4 O16.5 |
|---|---|
| Calculated formula | C48 H46 La2 N4 O16.5 |
| Title of publication | Structures, Photoluminescence, Up-Conversion, and Magnetism of 2D and 3D Rare-Earth Coordination Polymers with Multicarboxylate Linkages |
| Authors of publication | Yang, Jin; Yue, Qi; Li, Guo-Dong; Cao, Jun-Jun; Li, Guang-Hua; Chen, Jie-Sheng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 7 |
| Pages of publication | 2857 - 2865 |
| a | 11.5541 ± 0.0009 Å |
| b | 11.7802 ± 0.001 Å |
| c | 23.5745 ± 0.0015 Å |
| α | 79.366 ± 0.005° |
| β | 87.169 ± 0.005° |
| γ | 62 ± 0.005° |
| Cell volume | 2781.9 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4331791.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 {}' |
4331791.cif |
| 97895 | 2014-01-29 | cif/ Adding structures of 4331791 via cif-deposit CGI script. |
4331791.cif |
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