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Information card for entry 4064974
Preview
| Coordinates | 4064974.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H23 Cl2 N7 O2 Ru S |
|---|---|
| Calculated formula | C31 H23 Cl2 N7 O2 Ru S |
| SMILES | [Ru]123(Cl)([n]4c(cccc4c4[nH]c5ccccc5[n]14)c1[nH]c4ccccc4[n]21)[n]1ccccc1C=[N]3S(=O)(=O)c1ccccc1.[Cl-] |
| Title of publication | Synthesis of Ruthenium(II) Complexes Containing Tridentate Triamine (′N ͡N ͡N′) and Bidentate Diamine Ligands (N ͡N′): as Catalysts for Transfer Hydrogenation of Ketones |
| Authors of publication | Günnaz, Salih; Özdemir, Namık; Dayan, Serkan; Dayan, Osman; Çetinkaya, Bekir |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 15 |
| Pages of publication | 4165 |
| a | 8.1576 ± 0.0005 Å |
| b | 18.6367 ± 0.0009 Å |
| c | 10.1442 ± 0.0007 Å |
| α | 90° |
| β | 91.002 ± 0.006° |
| γ | 90° |
| Cell volume | 1541.99 ± 0.16 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1605 |
| Residual factor for significantly intense reflections | 0.0876 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178543 (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 4/06/49. |
4064974.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064974.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064974.cif |
| 33120 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064974, 4064975 via cif-deposit CGI script. |
4064974.cif |
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Users of the data should acknowledge the original authors of the
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