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Information card for entry 4313478
Preview
| Coordinates | 4313478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ThPR-Me-3,2-HOPO |
|---|---|
| Chemical name | Thorium tetrakis(1-Methyl-2-oxo-4-propylcarbamoyl-1,2-dihydro-pyridin-3-olate) |
| Formula | C40 H54 N8 O13 Th |
| Calculated formula | C40 H51 N8 O13 Th |
| Title of publication | Thorium(IV) Complexes of Bidentate Hydroxypyridinonates1 |
| Authors of publication | Jide Xu; Donald W. Whisenhunt; Alan C. Veeck; Linda C. Uhlir; Kenneth N. Raymond |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 2665 - 2674 |
| a | 17.125 ± 0.0005 Å |
| b | 12.3036 ± 0.0007 Å |
| c | 23.8803 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5031.6 ± 0.4 Å3 |
| Cell temperature | 132 ± 2 K |
| Ambient diffraction temperature | 132 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0896 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179193 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/34. |
4313478.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313478.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313478.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4313478.cif |
| 6547 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313478 via cif-deposit CGI script. |
4313478.cif |
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