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Information card for entry 7114666
Preview
| Coordinates | 7114666.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H48 Cl F3 P4 Ru |
|---|---|
| Calculated formula | C56 H48 Cl F3 P4.5 Ru |
| Title of publication | A new binuclear ruthenium complex with an annelated C7 bridge via an unprecedented [2 + 2] coupling reaction |
| Authors of publication | Rigaut, Stéphane; Le Pichon, Luc; Touchard, Daniel; Dixneuf, Pierre H.; Daran, Jean-Claude |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 13 |
| Pages of publication | 1206 |
| a | 9.7811 ± 0.001 Å |
| b | 12.1069 ± 0.0014 Å |
| c | 20.503 ± 0.002 Å |
| α | 95.204 ± 0.013° |
| β | 98.91 ± 0.012° |
| γ | 101.264 ± 0.013° |
| Cell volume | 2334 ± 0.5 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0723 |
| Weighted residual factors for all reflections included in the refinement | 0.0766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7114666.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 {}' |
7114666.cif |
| 118270 | 2014-06-29 | cif/ Adding structures of 7114666 via cif-deposit CGI script. |
7114666.cif |
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Users of the data should acknowledge the original authors of the
structural data.