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Information card for entry 4069904
Preview
| Coordinates | 4069904.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H43 Cl2 N5 Ru |
|---|---|
| Calculated formula | C41 H43 Cl2 N5 Ru |
| SMILES | [Ru](Cl)(Cl)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)=C1N([C@@H]([C@@H](N1c1c(cccc1)C)C)C)c1c(cccc1Cc1ccccc1)C.[Ru](Cl)(Cl)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)=C1N([C@H]([C@H](N1c1c(cccc1)C)C)C)c1c(cccc1Cc1ccccc1)C |
| Title of publication | Influence ofsynandantiConfigurations of NHC Backbone on Ru-Catalyzed Olefin Metathesis |
| Authors of publication | Grisi, Fabia; Mariconda, Annaluisa; Costabile, Chiara; Bertolasi, Valerio; Longo, Pasquale |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 17 |
| Pages of publication | 4988 |
| a | 9.2274 ± 0.0002 Å |
| b | 12.1039 ± 0.0003 Å |
| c | 17.2428 ± 0.0004 Å |
| α | 74.3271 ± 0.0013° |
| β | 84.0189 ± 0.0013° |
| γ | 78.7124 ± 0.0008° |
| Cell volume | 1815.65 ± 0.07 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178588 (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 4/06/99. |
4069904.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069904.cif |
| 40507 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069903, 4069904 via cif-deposit CGI script. |
4069904.cif |
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Users of the data should acknowledge the original authors of the
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