Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4339200
Preview
| Coordinates | 4339200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | neptunium(VI) methylphosphonate |
|---|---|
| Formula | C H3 Np O5 P |
| Calculated formula | C H3 Np O5 P |
| Title of publication | In situ hydrothermal reduction of neptunium(VI) as a route to neptunium(IV) phosphonates. |
| Authors of publication | Bray, Travis H.; Nelson, Anna-Gay D; Jin, Geng Bang; Haire, Richard G.; Albrecht-Schmitt, Thomas E |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 26 |
| Pages of publication | 10959 - 10961 |
| a | 6.2978 ± 0.001 Å |
| b | 6.6804 ± 0.001 Å |
| c | 7.0836 ± 0.0011 Å |
| α | 90.614 ± 0.003° |
| β | 99.335 ± 0.003° |
| γ | 96.5 ± 0.003° |
| Cell volume | 292.05 ± 0.08 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179495 (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 4/33/92. |
4339200.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 {}' |
4339200.cif |
| 117203 | 2014-06-14 | cif/ Adding structures of 4339200 via cif-deposit CGI script. |
4339200.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.