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Information card for entry 4076415
Preview
| Coordinates | 4076415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H53 B Ru3 |
|---|---|
| Calculated formula | C34 H46 B Ru3 |
| SMILES | [Ru]12345678([Ru]9%10%11%12%13%14([Ru]%15%16%17%18%19%20%21([BH]19[CH]2%15[C]3%16(=[CH]4%10%17)C)[c]1([c]%21([c]%20([c]%19([c]%181C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C |
| Title of publication | Formation of a Boraruthenacyclopentenyl Skeleton via B–C Bond Formation across a Triruthenium Plane |
| Authors of publication | Takao, Toshiro; Suwa, Hitoshi; Okamura, Rei; Suzuki, Hiroharu |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 5 |
| Pages of publication | 1825 |
| a | 18.2835 ± 0.0003 Å |
| b | 22.4887 ± 0.0004 Å |
| c | 15.8839 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6531 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0967 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.21 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288539 (current) | 2023-12-24 | Corrected misspelt variants of the '_computing_structure_solution' data name in multiple entries. |
4076415.cif |
| 178653 | 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 4/07/64. |
4076415.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 {}' |
4076415.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076415.cif |
| 51952 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076413, 4076414, 4076415 via cif-deposit CGI script. |
4076415.cif |
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Users of the data should acknowledge the original authors of the
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