Information card for entry 7216781

Structure parameters

• Formula: C18 H16 Cl2 F8 N2 O2 Pd
• Calculated formula: C18 H16 Cl2 F8 N2 O2 Pd
• SMILES: [Pd]1([n]2c(c3[n]1ccc(c3)COCC(F)(F)C(F)F)cc(cc2)COCC(F)(F)C(F)F)(Cl)Cl
• Title of publication: Intercalated polyfluorinated Pd complexes in α-zirconium phosphate for Sonogashira and Heck reactions
• Authors of publication: Lu, Norman; Lin, Kwan-Yu; Kung, Chih-Chieh; Jhuo, Jyun-Wei; Zhou, Yingjie; Liu, Jingjing; Sun, Luyi
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 52
• Pages of publication: 27329
• a: 9.3497 ± 0.0003 Å
• b: 9.916 ± 0.0004 Å
• c: 12.4927 ± 0.0004 Å
• α: 93.291 ± 0.002°
• β: 111.275 ± 0.001°
• γ: 91.89 ± 0.002°
• Cell volume: 1075.7 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No