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Information card for entry 4001504
Preview
| Coordinates | 4001504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | sodium neptunyl sulfate hydrate |
|---|---|
| Chemical name | sodium neptunyl sulfate dihydrate |
| Formula | H1.6 Na0.8 Np0.8 O5.6 S0.8 |
| Calculated formula | H1.6 Na0.8 Np0.8 O5.6 S0.8 |
| Title of publication | Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework |
| Authors of publication | Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1643 |
| a | 18.3638 ± 0.0013 Å |
| b | 5.6424 ± 0.0004 Å |
| c | 23.5512 ± 0.0017 Å |
| α | 90° |
| β | 103.366 ± 0.002° |
| γ | 90° |
| Cell volume | 2374.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0596 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4001504.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 {}' |
4001504.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001504.cif |
| 47580 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4001504 via cif-deposit CGI script. |
4001504.cif |
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