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Information card for entry 7027231
Preview
| Coordinates | 7027231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H12 Br O3 Re Se2 |
|---|---|
| Calculated formula | C9 H12 Br O3 Re Se2 |
| Title of publication | Synthesis, spectroscopic and structural studies on transition metal carbonyl complexes of cyclic di- and tetra-selenoether ligands |
| Authors of publication | Davies, Maxwell K.; Durrant, Marcus C.; Levason, William; Reid, Gillian; Richards, Raymond L. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 7 |
| Pages of publication | 1077 |
| a | 12.302 ± 0.002 Å |
| b | 12.726 ± 0.001 Å |
| c | 8.656 ± 0.002 Å |
| α | 90° |
| β | 90.02 ± 0.01° |
| γ | 90° |
| Cell volume | 1355.1 ± 0.4 Å3 |
| Cell temperature | 423.2 K |
| Ambient diffraction temperature | 423.2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0425 |
| Goodness-of-fit parameter for significantly intense reflections | 1.3 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7027231.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 {}' |
7027231.cif |
| 95173 | 2014-01-28 | cif/ Adding structures of 7027230, 7027231, 7027232 via cif-deposit CGI script. |
7027231.cif |
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Users of the data should acknowledge the original authors of the
structural data.