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Information card for entry 7115232
Preview
| Coordinates | 7115232.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H69 Eu F18 N8 O14.5 P3 |
|---|---|
| Calculated formula | C36 H66 Eu F18 N8 O14.5 P3 |
| Title of publication | Dependence of the relaxivity and luminescence of gadolinium and europium amino-acid complexes on hydrogencarbonate and pH |
| Authors of publication | Aime, Silvio; Barge, Alessandro; Botta, Mauro; Howard, Judith A. K.; Kataky, Ritu; Lowe, Mark P.; Moloney, Janet M.; Parker, David; de Sousa, Alvaro S. |
| Journal of publication | Chemical Communications |
| Year of publication | 1999 |
| Journal issue | 11 |
| Pages of publication | 1047 |
| a | 12.5731 ± 0.0004 Å |
| b | 15.4085 ± 0.0005 Å |
| c | 29.7563 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5764.8 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0827 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0905 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7115232.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7115232.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 {}' |
7115232.cif |
| 120156 | 2014-07-12 | cif/ Adding structures of 7115232 via cif-deposit CGI script. |
7115232.cif |
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Users of the data should acknowledge the original authors of the
structural data.