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Information card for entry 4070627
Preview
| Coordinates | 4070627.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis[bis-(2,3,4-trifluorobenzoato-O,O')-penta(carbonyl)- diruthenium(I,I)] |
|---|---|
| Formula | C38 H8 F12 O18 Ru4 |
| Calculated formula | C38 H8 F12 O18 Ru4 |
| SMILES | C1(c2c(F)c(F)c(F)cc2)=[O][Ru]23(C#[O])(C#[O])[O](C(c4c(F)c(F)c(F)cc4)=[O][Ru]2(C#[O])(C#[O])(O1)C#[O])[Ru]12(C#[O])(C#[O])[O]=C(c4c(F)c(F)c(F)cc4)O[Ru]2(C#[O])(C#[O])(C#[O])[O]=C(c2c(F)c(F)c(F)cc2)[O]31 |
| Title of publication | Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids |
| Authors of publication | Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1750 |
| a | 10.3336 ± 0.0005 Å |
| b | 11.8386 ± 0.0006 Å |
| c | 18.0531 ± 0.001 Å |
| α | 90° |
| β | 106.042 ± 0.001° |
| γ | 90° |
| Cell volume | 2122.53 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0221 |
| Residual factor for significantly intense reflections | 0.0207 |
| Weighted residual factors for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.0507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06. |
4070627.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 {}' |
4070627.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070627.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070627.cif |
| 42605 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070627, 4070628, 4070629, 4070630, 4070631, 4070632 via cif-deposit CGI script. |
4070627.cif |
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Users of the data should acknowledge the original authors of the
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