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Information card for entry 4081230
Preview
Coordinates | 4081230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H49 B F4 O6 P2 Pd |
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Calculated formula | C46 H49 B F4 O6 P2 Pd |
SMILES | [Pd]12([P](c3c(OC)cccc3)(c3c(OC)cccc3)c3c(OC)cccc3)([P](c3c(OC)cccc3)(c3c(OC)cccc3)c3c(OC)cccc3)C[CH]1=[CH]2C.[B](F)(F)(F)[F-] |
Title of publication | Mechanistic Study of the Pd/TOMPP-Catalyzed Telomerization of 1,3-Butadiene: Influence of Aromatic Solvents on Bis-Phosphine Complex Formation and Regioselectivity |
Authors of publication | Hausoul, Peter J. C.; Lutz, Martin; Jastrzebski, Johann T. B. H.; Bruijnincx, Pieter C. A.; Weckhuysen, Bert M.; Klein Gebbink, Robertus J. M. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 18 |
Pages of publication | 5047 |
a | 11.5357 ± 0.0003 Å |
b | 22.0424 ± 0.0002 Å |
c | 21.0432 ± 0.0002 Å |
α | 90° |
β | 116.986 ± 0.001° |
γ | 90° |
Cell volume | 4768.15 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.1012 |
Weighted residual factors for all reflections included in the refinement | 0.1053 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081230.html
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