Information card for entry 4325553

Structure parameters

• Formula: C32 H48 B2 F8 N8 Pd
• Calculated formula: C32 H48 B2 F8 N8 Pd
• SMILES: [B](F)(F)(F)[F-].c1cccc2Cn3cc(CCCCCCCC)n[n]3[Pd]3([n]12)[n]1n(Cc2cccc[n]32)cc(CCCCCCCC)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: 8.7988 ± 0.0013 Å
• b: 9.6946 ± 0.0013 Å
• c: 11.9832 ± 0.0017 Å
• α: 70.725 ± 0.007°
• β: 71.238 ± 0.007°
• γ: 83.949 ± 0.007°
• Cell volume: 913.6 ± 0.2 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: 0.0281
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No