Information card for entry 7035973

Structure parameters

• Chemical name: trans-[PdCl2{iPr2P(CF=CFCF3)}2]
• Formula: C18 H28 Cl2 F10 P2 Pd
• Calculated formula: C18 H28 Cl2 F10 P2 Pd
• SMILES: [Pd]([P](C(C)C)(C(C)C)C(=C(C(F)(F)F)\F)\F)([P](C(C)C)(C(C)C)/C(=C(\C(F)(F)F)F)F)(Cl)Cl
• Title of publication: Perfluoropropenyl-containing phosphines from HFC replacements.
• Authors of publication: Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19717 - 19731
• a: 8.147 ± 0.004 Å
• b: 8.856 ± 0.004 Å
• c: 9.608 ± 0.004 Å
• α: 77.301 ± 0.009°
• β: 77.16 ± 0.007°
• γ: 75.285 ± 0.008°
• Cell volume: 643.8 ± 0.5 ų
• 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: 0.102
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No