Information card for entry 1555709

Structure parameters

• Formula: C58 H47 Cl2 F6 P3 Pd3
• Calculated formula: C58 H47 Cl2 F6 P3 Pd3
• SMILES: [Pd]123([Pd]4([Pd]1([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C2(F)F)C4(F)F)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C3(F)F)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Pd-Catalyzed Transfer of Difluorocarbene.
• Authors of publication: Deng, Xiao-Yun; Lin, Jin-Hong; Xiao, Ji-Chang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4384 - 4387
• a: 45.749 ± 0.003 Å
• b: 10.2559 ± 0.0007 Å
• c: 26.996 ± 0.002 Å
• α: 90°
• β: 122.902 ± 0.002°
• γ: 90°
• Cell volume: 10634.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No