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Information card for entry 4319089
Preview
| Coordinates | 4319089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis-triethyl ammonium salt of oxovanadium bis-4-methyl-1,2-benzenedithiolate |
|---|---|
| Formula | C26 H44 N2 O S4 V |
| Calculated formula | C26 H44 N2 O S4 V |
| Title of publication | New Oxovanadium Bis(1,2-dithiolate) Compounds That Mimic the Hydrogen-Bonding Interactions at the Active Sites of Mononuclear Molybdenum Enzymes |
| Authors of publication | J. Jon A. Cooney; Michael D. Carducci; Anne E. McElhaney; Hugh D. Selby; John H. Enemark |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 7086 - 7093 |
| a | 27.48 ± 0.009 Å |
| b | 27.749 ± 0.009 Å |
| c | 7.847 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5984 ± 3 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192777 (current) | 2017-03-02 | cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
4319089.cif |
| 179270 | 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 4/31/90. |
4319089.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319089.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319089.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' ) & |
4319089.cif |
| 15819 | 2011-03-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4319089 via cif-deposit CGI script. |
4319089.cif |
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