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Information card for entry 4334274
Preview
| Coordinates | 4334274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Co2 N12 Np3 O19 |
|---|---|
| Calculated formula | Co2 N12 Np3 O19 |
| SMILES | [Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3].O=[Np](=O)(O)(O)(O)O.O=[Np](=O)(O)(O)(O)O.O=[Np](=O)(O)(O)(O)O.O.[Co]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3] |
| Title of publication | Chemical Speciation of Neptunium(VI) under Strongly Alkaline Conditions. Structure, Composition, and Oxo Ligand Exchange |
| Authors of publication | David L. Clark; Steven D. Conradson; Robert J. Donohoe; Pamela L. Gordon; D. Webster Keogh; Phillip D. Palmer; Brian L. Scott; C. Drew Tait |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 3547 - 3555 |
| a | 17.344 ± 0.004 Å |
| b | 12.177 ± 0.003 Å |
| c | 15.273 ± 0.005 Å |
| α | 90° |
| β | 120.17 ± 0.02° |
| γ | 90° |
| Cell volume | 2788.7 ± 1.4 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179445 (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 4/33/42. |
4334274.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4334274.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4334274.cif |
| 100091 | 2014-02-04 | cif/ Adding structures of 4334274 via cif-deposit CGI script. |
4334274.cif |
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