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Information card for entry 4331720
Preview
| Coordinates | 4331720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31.5 H45 B2 Cl I2 N12 O3 W2 |
|---|---|
| Calculated formula | C31.5 H45 B2 Cl I2 N12 O3 W2 |
| Title of publication | π-Acid/π-Base Carbonyloxo, Carbonylsulfido, and Mixed-Valence Complexes of Tungsten |
| Authors of publication | Thomas, Simon; Tiekink, Edward R. T.; Young, Charles G. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 1 |
| Pages of publication | 352 - 361 |
| a | 13.348 ± 0.001 Å |
| b | 13.962 ± 0.002 Å |
| c | 12.275 ± 0.002 Å |
| α | 93.97 ± 0.01° |
| β | 97.55 ± 0.01° |
| γ | 97.3 ± 0.01° |
| Cell volume | 2240.8 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.12 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.142 |
| Weighted residual factors for all reflections included in the refinement | 0.167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4331720.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 {}' |
4331720.cif |
| 97830 | 2014-01-29 | cif/ Adding structures of 4331720 via cif-deposit CGI script. |
4331720.cif |
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Users of the data should acknowledge the original authors of the
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