Information card for entry 4325555

Structure parameters

• Formula: C53 H66.5 B2 F8 N11.5 O20 Pd
• Calculated formula: C53 H66.5 B2 F8 N11.5 O20 Pd
• 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: 8.111 ± 0.003 Å
• b: 8.746 ± 0.003 Å
• c: 24.179 ± 0.008 Å
• α: 90.852 ± 0.012°
• β: 96.818 ± 0.012°
• γ: 104.357 ± 0.011°
• Cell volume: 1648.2 ± 1 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No