Information card for entry 4325549

Structure parameters

• Formula: C26 H20 B2 F8 N8 Pd
• Calculated formula: C26 H20 B2 F8 N8 Pd
• SMILES: [B](F)(F)(F)[F-].c1cccc2[n]1[Pd]1([n]3c(cn(n3)c3ccccc3)c3cccc[n]13)[n]1c2cn(c2ccccc2)n1.[B](F)(F)(F)[F-]
• 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: 7.5443 ± 0.0006 Å
• b: 9.8221 ± 0.0008 Å
• c: 9.8607 ± 0.0008 Å
• α: 89.426 ± 0.004°
• β: 68.482 ± 0.004°
• γ: 77.336 ± 0.004°
• Cell volume: 661.22 ± 0.1 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 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: 0.0197
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No