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Information card for entry 4071845
Preview
| Coordinates | 4071845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H34 N2 Ru2 |
|---|---|
| Calculated formula | C36 H34 N2 Ru2 |
| SMILES | [Ru]1234567([NH]8[Ru]9%10%11%12%13([NH]1[C@@H](c1c2ccc2ccccc12)C)(c1ccc2ccccc2c1[C@H]8C)[cH]1[cH]9[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]3[cH]4[cH]5[cH]6[cH]71 |
| Title of publication | Kinetics and Mechanism of Ruthenacycle-Catalyzed Asymmetric Hydrogen Transfer |
| Authors of publication | Pannetier, Nicolas; Sortais, Jean-Baptiste; Dieng, Pape Sylla; Barloy, Laurent; Sirlin, Claude; Pfeffer, Michel |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5852 |
| a | 7.722 ± 0.0001 Å |
| b | 13.556 ± 0.0003 Å |
| c | 13.251 ± 0.0003 Å |
| α | 90° |
| β | 91.012 ± 0.0009° |
| γ | 90° |
| Cell volume | 1386.89 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0326 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0596 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178607 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/18. |
4071845.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071845.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071845.cif |
| 44076 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071844, 4071845 via cif-deposit CGI script. |
4071845.cif |
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