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Information card for entry 4085075
Preview
| Coordinates | 4085075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 B Cl2 Mo N6 O2 S2 |
|---|---|
| Calculated formula | C17 H15 B Cl2 Mo N6 O2 S2 |
| Title of publication | Thioxoethenylidene (CCS) as a Bridging Ligand |
| Authors of publication | Caldwell, Lorraine M.; Hill, Anthony F.; Stranger, Robert; Terrett, Richard N. L.; von Nessi, Kassetra M.; Ward, Jas S.; Willis, Anthony C. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 1 |
| Pages of publication | 328 |
| a | 13.5866 ± 0.0002 Å |
| b | 8.3741 ± 0.0001 Å |
| c | 21.0109 ± 0.0003 Å |
| α | 90° |
| β | 107.16 ± 0.0006° |
| γ | 90° |
| Cell volume | 2284.12 ± 0.05 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0237 |
| Weighted residual factors for all reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0254 |
| Weighted residual factors for all reflections included in the refinement | 0.0254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1389 |
| Diffraction radiation wavelength | 0.71073 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. |
4085075.cif |
| 130802 | 2015-02-04 | cif/ Updating files of 4085074, 4085075 Original log message: Adding full bibliography for 4085074--4085075.cif. |
4085075.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 {}' |
4085075.cif |
| 128980 | 2014-12-21 | cif/ Adding structures of 4085074, 4085075 via cif-deposit CGI script. |
4085075.cif |
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Users of the data should acknowledge the original authors of the
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