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Information card for entry 4074737
Preview
| Coordinates | 4074737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H70 Cl8 N6 P2 Pd Ru2 |
|---|---|
| Calculated formula | C66 H70 Cl8 N6 P2 Pd Ru2 |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)CCn1c([n+](cc1)C)C.N#CC.Cl[Pd](Cl)([Cl-])[Cl-].[c]12([cH]3[cH]4[cH]5[cH]6[cH]1[Ru]23456([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl)CCn1c([n+](cc1)C)C.N#CC |
| 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 | 9.2984 ± 0.0015 Å |
| b | 9.7207 ± 0.0018 Å |
| c | 20.453 ± 0.003 Å |
| α | 86.374 ± 0.014° |
| β | 87.931 ± 0.013° |
| γ | 64.96 ± 0.016° |
| Cell volume | 1671.5 ± 0.5 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.1191 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.779 |
| 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. |
4074737.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074737.cif |
| 87351 | 2013-08-12 | smi/4: Adding SMILES for purely organic compounds (no brackets) in subdir 4 |
4074737.cif |
| 48738 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074737 via cif-deposit CGI script. |
4074737.cif |
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Users of the data should acknowledge the original authors of the
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