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Information card for entry 4068095
Preview
Coordinates | 4068095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H34 Br2 N Ni O P |
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Calculated formula | C20 H34 Br2 N Ni O P |
SMILES | [Ni]1(Br)(Br)[P](OC(=[N]1c1c(cccc1C(C)C)C(C)C)C)(C(C)C)C(C)C |
Title of publication | Nickel and Palladium Complexes with New Phosphinito-Imine Ligands and Their Application as Ethylene Oligomerization Catalysts |
Authors of publication | Ortiz de la Tabla, Laura; Matas, Inmaculada; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 3 |
Pages of publication | 1006 |
a | 10.7905 ± 0.0007 Å |
b | 14.551 ± 0.0009 Å |
c | 15.098 ± 0.0009 Å |
α | 90° |
β | 94.09 ± 0.001° |
γ | 90° |
Cell volume | 2364.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0476 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0901 |
Weighted residual factors for all reflections included in the refinement | 0.0931 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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