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Information card for entry 4079405
Preview
Coordinates | 4079405.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C138 H117 Cl2 N2 P Ru |
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Calculated formula | C138 H117 Cl2 N2 P Ru |
SMILES | [Ru](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=C1N(C=CN1c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C)C(c1ccccc1)c1ccccc1)=C1C=C(c2ccccc12)c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1 |
Title of publication | Effect of Ligand Bulk in Ruthenium-Catalyzed Olefin Metathesis: IPr* vs IPr |
Authors of publication | Manzini, Simone; Urbina Blanco, César A.; Slawin, Alexandra M. Z.; Nolan, Steven P. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 18 |
Pages of publication | 6514 |
a | 14.205 ± 0.005 Å |
b | 13.076 ± 0.005 Å |
c | 56.49 ± 0.02 Å |
α | 90° |
β | 96.721 ± 0.007° |
γ | 90° |
Cell volume | 10421 ± 7 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.1527 |
Weighted residual factors for all reflections included in the refinement | 0.2984 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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