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Information card for entry 4065363
Preview
| Coordinates | 4065363.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66.5 H63 Cl3 F3 Ir O6 P4 Ru S |
|---|---|
| Calculated formula | C65 H60 F3 Ir O6 P4 Ru S |
| Title of publication | Facile Carbon‒Carbon Bond Formation and Multiple Carbon‒Hydrogen Bond Activations Promoted by Methylene-Bridged Iridium/Ruthenium Complexes |
| Authors of publication | MacDougall, Tiffany J.; Trepanier, Steven J.; Dutton, Jason L.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 21 |
| Pages of publication | 5882 |
| a | 12.5683 ± 0.0008 Å |
| b | 12.8768 ± 0.0008 Å |
| c | 20.1977 ± 0.0013 Å |
| α | 99.4872 ± 0.0009° |
| β | 90.1385 ± 0.0009° |
| γ | 94.0337 ± 0.0009° |
| Cell volume | 3215.8 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0598 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4065363.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065363.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065363.cif |
| 33258 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065361, 4065362, 4065363, 4065364 via cif-deposit CGI script. |
4065363.cif |
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Users of the data should acknowledge the original authors of the
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