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Information card for entry 7113222
Preview
| Coordinates | 7113222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Fe12 H158 K22 Na8 O312 P8 W60 |
|---|---|
| Calculated formula | Fe12 K22 Na8 O312 P8 W60 |
| Title of publication | Controlled assembly and solution observation of a 2.6 nm polyoxometalate "super" tetrahedron cluster: [KFe12(OH)18(α-1,2,3-P2W15O56)4]29‒ |
| Authors of publication | Pradeep, Chullikkattil P.; Long, De-Liang; Kögerler, Paul; Cronin, Leroy |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2007 |
| Journal issue | 41 |
| Pages of publication | 4254 - 4256 |
| a | 47.8099 ± 0.0015 Å |
| b | 30.624 ± 0.0015 Å |
| c | 29.8033 ± 0.0011 Å |
| α | 90° |
| β | 122.929 ± 0.002° |
| γ | 90° |
| Cell volume | 36626 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.088 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7102210 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210766 (current) | 2018-09-10 | cif/7/ Updating bibliography in entries 7102210, 7113222. Marking entry 7113222 as a duplicate of entry 7102210. |
7113222.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7113222.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 {}' |
7113222.cif |
| 113391 | 2014-05-12 | cif/ Adding structures of 7113222 via cif-deposit CGI script. |
7113222.cif |
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Users of the data should acknowledge the original authors of the
structural data.