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Information card for entry 1505724
Preview
| Coordinates | 1505724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tris(N,N-diethyldithiocarbamate)(2,2'-Bipyridyl)ytterbium(III) |
|---|---|
| Formula | C25 H38 N5 S6 Yb |
| Calculated formula | C25 H38 N5 S6 Yb |
| SMILES | [Yb]1234([S]=C(S1)N(CC)CC)([S]=C(S2)N(CC)CC)([S]=C(S3)N(CC)CC)[n]1ccccc1c1[n]4cccc1 |
| Title of publication | Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides. |
| Authors of publication | Liu, G. K.; Jensen, M. P.; Almond, P. M. |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2006 |
| Journal volume | 110 |
| Journal issue | 6 |
| Pages of publication | 2081 - 2088 |
| a | 17.4135 ± 0.0011 Å |
| b | 10.5109 ± 0.0007 Å |
| c | 17.2309 ± 0.0011 Å |
| α | 90° |
| β | 96.324 ± 0.001° |
| γ | 90° |
| Cell volume | 3134.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505724.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 {}' |
1505724.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505724.cif |
| 47680 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505724 via cif-deposit CGI script. |
1505724.cif |
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