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Information card for entry 7027208
Preview
| Coordinates | 7027208.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H23 B Cl2 F15 N3 O3 W |
|---|---|
| Calculated formula | C28 H23 B Cl2 F15 N3 O3 W |
| SMILES | [W]12(O[B](c3c(F)c(F)c(F)c(c3F)F)(c3c(F)c(F)c(F)c(c3F)F)c3c(F)c(F)c(c(c3F)F)F)(=O)(=O)[N]3(C)CC[N]1(CC[N]2(CC3)C)C.ClCCl |
| Title of publication | Adducts of the Lewis acid [B(C6F5)3] with transition metal oxo compounds |
| Authors of publication | Barrado, Georgina; Doerrer, Linda; Green, Malcolm L. H.; Leech, Michael A. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 7 |
| Pages of publication | 1061 |
| a | 13.289 ± 0.001 Å |
| b | 14.028 ± 0.001 Å |
| c | 18.27 ± 0.001 Å |
| α | 90° |
| β | 110.256 ± 0.003° |
| γ | 90° |
| Cell volume | 3195.2 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.022 |
| Goodness-of-fit parameter for significantly intense reflections | 1.0705 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7027208.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7027208.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 {}' |
7027208.cif |
| 118240 | 2014-06-27 | cif/7 Fixing a few Z/formula values |
7027208.cif |
| 95153 | 2014-01-28 | cif/ Adding structures of 7027206, 7027207, 7027208 via cif-deposit CGI script. |
7027208.cif |
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Users of the data should acknowledge the original authors of the
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