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Information card for entry 4073574
Preview
| Coordinates | 4073574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H32 F6 O P2 Ru |
|---|---|
| Calculated formula | C31 H32 F6 O P2 Ru |
| SMILES | [CH2]1=[C]2([CH]3=[CH]4CC[P](c5ccccc5)(c5ccccc5)[Ru]56781234[cH]1[cH]5[cH]6[cH]7[cH]81)C(C)(c1ccccc1)O.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Regioselective Synthesis of η4-Dienylphosphane Ruthenium Complexes by Oxidative Coupling Reactions |
| Authors of publication | Díez, J.; Gamasa, M. P.; Lastra, E.; Villar, A.; Pérez-Carreño, E. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 22 |
| Pages of publication | 5315 |
| a | 10.6948 ± 0.0002 Å |
| b | 38.0333 ± 0.0008 Å |
| c | 15.2449 ± 0.0002 Å |
| α | 90° |
| β | 110.003 ± 0.001° |
| γ | 90° |
| Cell volume | 5826.92 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.115 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (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 4/07/35. |
4073574.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073574.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073574.cif |
| 46426 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073573, 4073574, 4073575, 4073576 via cif-deposit CGI script. |
4073574.cif |
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Users of the data should acknowledge the original authors of the
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