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Information card for entry 4331614
Preview
| Coordinates | 4331614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H42 Cu2 N6 O8 U |
|---|---|
| Calculated formula | C46 H42 Cu2 N6 O8 U |
| SMILES | [U]123456(Oc7c8[O]1[Cu]19([O]2c2c(C=[N]9CCCC[N]1=Cc8ccc7)cccc2O3)[n]1ccccc1)Oc1c2[O]4[Cu]34([O]5c5c(C=[N]4CCCC[N]3=Cc2ccc1)cccc5O6)[n]1ccccc1 |
| Title of publication | Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions |
| Authors of publication | Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 83 - 93 |
| a | 19.7974 ± 0.0011 Å |
| b | 16.0236 ± 0.001 Å |
| c | 13.0921 ± 0.0008 Å |
| α | 90° |
| β | 91.658 ± 0.004° |
| γ | 90° |
| Cell volume | 4151.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1114 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179419 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16. |
4331614.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 {}' |
4331614.cif |
| 97743 | 2014-01-29 | cif/ Adding structures of 4331609, 4331610, 4331611, 4331612, 4331613, 4331614, 4331615 via cif-deposit CGI script. |
4331614.cif |
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Users of the data should acknowledge the original authors of the
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