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Information card for entry 4072149
Preview
| Coordinates | 4072149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H40 Cl5 N4 O2 P Ru |
|---|---|
| Calculated formula | C39 H40 Cl5 N4 O2 P Ru |
| SMILES | C12C(=O)O[Ru](=Cc3ccccc3)([n]3c(cc(C)n13)C)([n]1c(cc(C)n21)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Neutral Ruthenium Carbene Complexes bearing N,N,O Heteroscorpionate Ligands: Syntheses and Activity in Metathesis Reactions |
| Authors of publication | Kopf, Henning; Holzberger, Bastian; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5894 |
| a | 14.278 ± 0.003 Å |
| b | 18.997 ± 0.004 Å |
| c | 16.217 ± 0.003 Å |
| α | 90° |
| β | 115.07 ± 0.03° |
| γ | 90° |
| Cell volume | 3984.3 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0657 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1256 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072149.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072149.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072149.cif |
| 44263 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072146, 4072147, 4072148, 4072149 via cif-deposit CGI script. |
4072149.cif |
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