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Information card for entry 4084081
Preview
| Coordinates | 4084081.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ruthenocenylmethylium trifluoromethanesulfonate |
|---|---|
| Formula | C12 H11 F3 O3 Ru S |
| Calculated formula | C12 H10.6667 F3 O3 Ru S |
| Title of publication | The Ruthenocenylmethylium Cation: Isolation and Structures ofη5-Cyclopentadienyl-η6-fulvene-ruthenium(II) Salts |
| Authors of publication | Barlow, Stephen; Cowley, Andrew; Green, Jennifer C.; Brunker, Tim J.; Hascall, Tony |
| Journal of publication | Organometallics |
| Year of publication | 2001 |
| Journal volume | 20 |
| Journal issue | 25 |
| Pages of publication | 5351 |
| a | 16.2555 ± 0.0003 Å |
| b | 13.2704 ± 0.0003 Å |
| c | 18.7369 ± 0.0005 Å |
| α | 90° |
| β | 104.543 ± 0.002° |
| γ | 90° |
| Cell volume | 3912.36 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for all reflections included in the refinement | 0.0494 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0248 |
| 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. |
4084081.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 {}' |
4084081.cif |
| 120813 | 2014-07-26 | cif/ Adding structures of 4084080, 4084081, 4084082 via cif-deposit CGI script. |
4084081.cif |
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Users of the data should acknowledge the original authors of the
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