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Information card for entry 4339315
Preview
| Coordinates | 4339315.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 16bTb 2NO3 MeOH |
|---|---|
| Formula | C101 H134 N6 O19 P3 Tb |
| Calculated formula | C101 H119.7 N9.2 O16 P3 Tb |
| Title of publication | CMPO-functionalized C3-symmetric tripodal ligands in liquid/liquid extractions: efficient, selective recognition of Pu(IV) with low affinity for 3+ metal ions. |
| Authors of publication | Matloka, Kornelia; Sah, Ajay K.; Peters, Matthew W.; Srinivasan, Priya; Gelis, Artem V.; Regalbuto, Monica; Scott, Michael J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 25 |
| Pages of publication | 10549 - 10563 |
| a | 12.4105 ± 0.0018 Å |
| b | 13.713 ± 0.002 Å |
| c | 33.122 ± 0.005 Å |
| α | 88.353 ± 0.003° |
| β | 82.941 ± 0.002° |
| γ | 66.989 ± 0.002° |
| Cell volume | 5147.9 ± 1.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1124 |
| Residual factor for significantly intense reflections | 0.097 |
| Weighted residual factors for significantly intense reflections | 0.2039 |
| Weighted residual factors for all reflections included in the refinement | 0.209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.274 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179496 (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 4/33/93. |
4339315.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 {}' |
4339315.cif |
| 117266 | 2014-06-14 | cif/ Adding structures of 4339312, 4339313, 4339314, 4339315, 4339316 via cif-deposit CGI script. |
4339315.cif |
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Users of the data should acknowledge the original authors of the
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