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Information card for entry 4067376
Preview
| Coordinates | 4067376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H78 N8 Ru2 |
|---|---|
| Calculated formula | C62 H78 N8 Ru2 |
| SMILES | [Ru]12([N](=C(c3[n]1c(C(=[N]2c1c(cc(cc1C)C)C)C)cc(c3)C(C)(C)C)C)c1c(cc(cc1C)C)C)N=N[Ru]12[N](=C(c3[n]1c(cc(c3)C(C)(C)C)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Low-Valent Ruthenium Complexes of the Non-innocent 2,6-Bis(imino)pyridine Ligand |
| Authors of publication | Gallagher, Michelle; Wieder, Noah L.; Dioumaev, Vladimir K.; Carroll, Patrick J.; Berry, Donald H. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 3 |
| Pages of publication | 591 |
| a | 21.799 ± 0.003 Å |
| b | 26.768 ± 0.003 Å |
| c | 14.9788 ± 0.0017 Å |
| α | 90° |
| β | 129.895 ± 0.002° |
| γ | 90° |
| Cell volume | 6705.8 ± 1.4 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.1218 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178564 (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 4/06/73. |
4067376.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067376.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067376.cif |
| 34180 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067376, 4067377, 4067378, 4067379, 4067380, 4067381, 4067382 via cif-deposit CGI script. |
4067376.cif |
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