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Information card for entry 4341412
Preview
| Coordinates | 4341412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | U-EDTA chain |
|---|---|
| Formula | C20 K3 N4 O48 U4 |
| Calculated formula | C20 K3 N4 O48 U4 |
| Title of publication | Expanding the Crystal Chemistry of Uranyl Peroxides: Four Hybrid Uranyl-Peroxide Structures Containing EDTA. |
| Authors of publication | Qiu, Jie; Ling, Jie; Sieradzki, Claire; Nguyen, Kevin; Wylie, Ernest M.; Szymanowski, Jennifer E. S.; Burns, Peter C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141028111602002 |
| a | 10.5051 ± 0.0011 Å |
| b | 11.106 ± 0.0012 Å |
| c | 12.3307 ± 0.0013 Å |
| α | 91.903 ± 0.001° |
| β | 99.039 ± 0.001° |
| γ | 106.252 ± 0.001° |
| Cell volume | 1359.5 ± 0.2 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.1009 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179517 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14. |
4341412.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 {}' |
4341412.cif |
| 126018 | 2014-10-30 | cif/ Adding structures of 4341409, 4341410, 4341411, 4341412 via cif-deposit CGI script. |
4341412.cif |
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Users of the data should acknowledge the original authors of the
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