Information card for entry 4064138

Structure parameters

• Common name: [(tBuPCO)Pd]2(?-OH)[B(ArF)4]
• Chemical name: (6)
• Formula: C139 H146 B2 F48 O6 P4 Pd4
• Calculated formula: C139 H146 B2 F48 O6 P4 Pd4
• Title of publication: Syntheses and Characterization of Palladium Complexes with a Hemilabile “PCO” Pincer Ligand
• Authors of publication: Fulmer, Gregory R.; Kaminsky, Werner; Kemp, Richard A.; Goldberg, Karen I.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1627
• a: 9.7961 ± 0.001 Å
• b: 19.388 ± 0.003 Å
• c: 19.765 ± 0.002 Å
• α: 96.546 ± 0.013°
• β: 96.997 ± 0.012°
• γ: 96.935 ± 0.004°
• Cell volume: 3667 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.2446
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No