Information card for entry 4325548

Structure parameters

• Formula: C32 H30 B2 F8 N10 Pd
• Calculated formula: C32 H30 B2 F8 N10 Pd
• SMILES: [B](F)(F)(F)[F-].c1cccc2[n]1[Pd]1([n]3c2cn(Cc2ccccc2)n3)[n]2c(cn(Cc3ccccc3)n2)c2cccc[n]12.N#CC.[B](F)(F)(F)[F-].N#CC
• Title of publication: Palladium(II) Complexes of Readily Functionalized Bidentate 2-Pyridyl-1,2,3-triazole "Click" Ligands: A Synthetic, Structural, Spectroscopic, and Computational Study
• Authors of publication: Kelly J. Kilpin; Emma L. Gavey; C. John McAdam; Christopher B. Anderson; Samuel J. Lind; Courtney C. Keep; Keith C. Gordon; James D. Crowley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6334 - 6346
• a: 10.232 ± 0.002 Å
• b: 11.358 ± 0.002 Å
• c: 14.874 ± 0.003 Å
• α: 90°
• β: 96.311 ± 0.006°
• γ: 90°
• Cell volume: 1718.1 ± 0.6 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No