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Information card for entry 4500698
Preview
| Coordinates | 4500698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Mn4 O57.75 P6 U5 |
|---|---|
| Calculated formula | C12 H12 Mn4 O57.92 P6 U5 |
| Title of publication | Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates |
| Authors of publication | Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 6 |
| Pages of publication | 2358 |
| a | 12.7708 ± 0.0013 Å |
| b | 14.5298 ± 0.0014 Å |
| c | 18.8587 ± 0.0019 Å |
| α | 82.784 ± 0.001° |
| β | 72.179 ± 0.001° |
| γ | 79.385 ± 0.001° |
| Cell volume | 3265.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179537 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/06. |
4500698.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 {}' |
4500698.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500698.cif |
| 34590 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500697, 4500698, 4500699, 4500700, 4500701 via cif-deposit CGI script. |
4500698.cif |
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