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Information card for entry 4063557
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Coordinates | 4063557.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in paper 7a |
---|---|
Formula | C29 H27 B F3 N2 P Pd |
Calculated formula | C29 H27 B F3 N2 P Pd |
SMILES | [Pd]([P](c1c(cccc1)[B](F)(F)F)(c1ccccc1)c1ccccc1)([n]1ccccc1)([n]1ccccc1)C |
Title of publication | Dimerization of Ethylene by Palladium Complexes Containing Bidentate Trifluoroborate-Functionalized Phosphine Ligands |
Authors of publication | Gott, Andrew L.; Piers, Warren E.; Dutton, Jason L.; McDonald, Robert; Parvez, Masood |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 16 |
Pages of publication | 4236 |
a | 17.3625 ± 0.0005 Å |
b | 10.1672 ± 0.0005 Å |
c | 31.5144 ± 0.0015 Å |
α | 90° |
β | 103.526 ± 0.0017° |
γ | 90° |
Cell volume | 5408.9 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1284 |
Residual factor for significantly intense reflections | 0.1076 |
Weighted residual factors for significantly intense reflections | 0.3034 |
Weighted residual factors for all reflections included in the refinement | 0.3071 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.239 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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