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Information card for entry 4337545
Preview
| Coordinates | 4337545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Cl10 N6 Pu |
|---|---|
| Calculated formula | C30 H30 Cl10 N6 Pu |
| SMILES | c1[nH+]ccc(c1)c1cc[nH+]cc1.[nH+]1ccc(cc1)c1cc[nH+]cc1.Cl[Pu](Cl)(Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-].c1cc(cc[nH+]1)c1cc[nH+]cc1.[Cl-].[Cl-] |
| Title of publication | Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy. |
| Authors of publication | Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 1 |
| Pages of publication | 383 - 392 |
| a | 7.3488 ± 0.0008 Å |
| b | 10.9808 ± 0.0012 Å |
| c | 12.0278 ± 0.0014 Å |
| α | 83.524 ± 0.002° |
| β | 73.93 ± 0.002° |
| γ | 88.64 ± 0.002° |
| Cell volume | 926.69 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0322 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0573 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179478 (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 4/33/75. |
4337545.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 {}' |
4337545.cif |
| 106459 | 2014-03-15 | cif/ Adding structures of 4337540, 4337541, 4337542, 4337543, 4337544, 4337545, 4337546 via cif-deposit CGI script. |
4337545.cif |
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Users of the data should acknowledge the original authors of the
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