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Information card for entry 7028965
Preview
| Coordinates | 7028965.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 F3 N7 O3 Ru S |
|---|---|
| Calculated formula | C24 H24 F3 N7 O3 Ru S |
| SMILES | [Ru]1(c2c(c3ccccc3)[n+](nn2c2c1cccc2)C)([N]#CC)([N]#CC)([N]#CC)[N]#CC.O=S(=O)([O-])C(F)(F)F |
| Title of publication | Synthesis and catalytic alcohol oxidation and ketone transfer hydrogenation activity of donor-functionalized mesoionic triazolylidene ruthenium(ii) complexes. |
| Authors of publication | Delgado-Rebollo, Manuela; Canseco-Gonzalez, Daniel; Hollering, Manuela; Mueller-Bunz, Helge; Albrecht, Martin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 11 |
| Pages of publication | 4462 - 4473 |
| a | 7.83027 ± 0.00007 Å |
| b | 11.5481 ± 0.0001 Å |
| c | 15.7934 ± 0.0002 Å |
| α | 106.771 ± 0.0009° |
| β | 101.919 ± 0.0008° |
| γ | 93.1348 ± 0.0008° |
| Cell volume | 1327.9 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179995 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/89. |
7028965.cif |
| 105470 | 2014-03-12 | cif/ Adding structures of 7028964, 7028965, 7028966, 7028967 via cif-deposit CGI script. |
7028965.cif |
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Users of the data should acknowledge the original authors of the
structural data.