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Information card for entry 4065654
Preview
Coordinates | 4065654.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H70 B F4 P3 Pd |
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Calculated formula | C46 H70 B F4 P3 Pd |
SMILES | [PdH]1([P](Cc2ccccc2C[P]1(c1ccccc1)c1ccccc1)(C(C)(C)C)C(C)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-] |
Title of publication | Palladium Complexes of the Heterodiphosphineo-C6H4(CH2PtBu2)(CH2PPh2) Are Highly Selective and Robust Catalysts for the Hydromethoxycarbonylation of Ethene |
Authors of publication | Fanjul, Tamara; Eastham, Graham; Fey, Natalie; Hamilton, Alex; Orpen, A. Guy; Pringle, Paul G.; Waugh, Mark |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 10 |
Pages of publication | 2292 |
a | 11.6758 ± 0.0002 Å |
b | 12.964 ± 0.0004 Å |
c | 15.5027 ± 0.0003 Å |
α | 88.784 ± 0.001° |
β | 88.417 ± 0.001° |
γ | 76.879 ± 0.001° |
Cell volume | 2284.16 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.116 |
Residual factor for significantly intense reflections | 0.0787 |
Weighted residual factors for significantly intense reflections | 0.1402 |
Weighted residual factors for all reflections included in the refinement | 0.1584 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065654.html
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Users of the data should acknowledge the original authors of the
structural data.