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Information card for entry 4329657
Preview
| Coordinates | 4329657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Sodium neptunyl(V/VI) borate perchlorate hydrate |
|---|---|
| Formula | B15 Cl Na Np4 O42.75 |
| Calculated formula | B15 Cl Na Np4 O42.75 |
| Title of publication | Cation-Cation Interactions between Neptunyl(VI) Units |
| Authors of publication | Shuao Wang; Juan Diwu; Evgeny V. Alekseev; Laurent J. Jouffret; Wulf Depmeier; Thomas E. Albrecht-Schmitt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 7016 - 7018 |
| a | 6.466 ± 0.004 Å |
| b | 15.816 ± 0.009 Å |
| c | 16.644 ± 0.01 Å |
| α | 84.229 ± 0.012° |
| β | 78.955 ± 0.008° |
| γ | 86.853 ± 0.009° |
| Cell volume | 1661 ± 1.7 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 | 0.1222 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179399 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/96. |
4329657.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 {}' |
4329657.cif |
| 78714 | 2013-04-02 | cif/ Adding structures of 4329657 via cif-deposit CGI script. |
4329657.cif |
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