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Information card for entry 4067378
Preview
| Coordinates | 4067378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H35 N3 Ru |
|---|---|
| Calculated formula | C32 H35 N3 Ru |
| SMILES | [Ru]123456([n]7c(C(=N\c8c(cccc8C)C)\C)cccc7C(=[N]1c1c(cccc1C)C)C)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)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 | 9.2922 ± 0.0008 Å |
| b | 12.5838 ± 0.001 Å |
| c | 23.3895 ± 0.0018 Å |
| α | 90° |
| β | 96.132 ± 0.001° |
| γ | 90° |
| Cell volume | 2719.3 ± 0.4 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 4 |
| 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067378.cif |
| 178564 | 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. |
4067378.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067378.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067378.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. |
4067378.cif |
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