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Information card for entry 4068810
Preview
| Coordinates | 4068810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H60 B F24 N6 O Ru |
|---|---|
| Calculated formula | C75 H60 B F24 N6 O Ru |
| SMILES | [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C(#[O])[Ru](=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)([N]#N)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Six-, Five-, and Four-Coordinate Ruthenium(II) Hydride Complexes Supported byN-Heterocyclic Carbene Ligands: Synthesis, Characterization, Fundamental Reactivity, and Catalytic Hydrogenation of Olefins, Aldehydes, and Ketones |
| Authors of publication | Lee, John P.; Ke, Zhuofeng; Ramírez, Magaly A.; Gunnoe, T. Brent; Cundari, Thomas R.; Boyle, Paul D.; Petersen, Jeffrey L. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 6 |
| Pages of publication | 1758 |
| a | 12.7915 ± 0.0006 Å |
| b | 14.1362 ± 0.0006 Å |
| c | 20.9254 ± 0.001 Å |
| α | 90° |
| β | 94.898 ± 0.002° |
| γ | 90° |
| Cell volume | 3770 ± 0.3 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.1611 |
| Weighted residual factors for all reflections included in the refinement | 0.1707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178578 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/88. |
4068810.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068810.cif |
| 39984 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068808, 4068809, 4068810 via cif-deposit CGI script. |
4068810.cif |
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