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Information card for entry 4074738
Preview
| Coordinates | 4074738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H56 B Cl2 N2 P Ru |
|---|---|
| Calculated formula | C57 H56 B Cl2 N2 P Ru |
| SMILES | [Ru]12345(Cl)(Cl)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[cH]3[cH]4[cH]56)CCn1c[n+](cc1)CCCC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis |
| Authors of publication | Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 3 |
| Pages of publication | 733 |
| a | 9.8915 ± 0.0004 Å |
| b | 28.6704 ± 0.0016 Å |
| c | 17.3285 ± 0.0011 Å |
| α | 90° |
| β | 100.768 ± 0.005° |
| γ | 90° |
| Cell volume | 4827.7 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.069 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178636 (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 4/07/47. |
4074738.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074738.cif |
| 87351 | 2013-08-12 | smi/4: Adding SMILES for purely organic compounds (no brackets) in subdir 4 |
4074738.cif |
| 48740 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074738 via cif-deposit CGI script. |
4074738.cif |
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Users of the data should acknowledge the original authors of the
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