Information card for entry 7003090

Structure parameters

• Chemical name: bis(phenylbisperfluorovinylphosphine)palladium(II) bromide
• Formula: C20 H10 Br2 F12 P2 Pd
• Calculated formula: C20 H10 Br2 F12 P2 Pd
• SMILES: C(=C(F)F)(F)[P](C(=C(F)F)F)(c1ccccc1)[Pd](Br)([P](C(=C(F)F)F)(C(=C(F)F)F)c1ccccc1)Br
• Title of publication: The coordination chemistry of perfluorovinyl substituted phosphine ligands, a crystallographic and spectroscopic study. Co-crystallisation of both cis- and trans-isomers of [PtCl2{PiPr2(CFCF2)}2] within the same unit cell
• Authors of publication: Barnes, Nicholas A.; Brisdon, Alan K.; Brown, F. R. William; Cross, Wendy I.; Herbert, Christopher J.; Pritchard, Robin G.; Sadiq, Ghazala
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 1
• Pages of publication: 101
• a: 9.105 ± 0.002 Å
• b: 10.013 ± 0.001 Å
• c: 7.87 ± 0.001 Å
• α: 109.062 ± 0.01°
• β: 102.91 ± 0.02°
• γ: 99.26 ± 0.02°
• Cell volume: 639.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No