Information card for entry 4105243

Structure parameters

• Common name: ML097_3
• Chemical name: ML097_3
• Formula: C134 H209 F24 N12 O4.5 P4 Pd6 Tl4
• Calculated formula: C134 H209 F24 N12 O4.5 P4 Pd6 Tl4
• Title of publication: Oxidatively Induced Reductive Elimination from (tBu2bpy)Pd(Me)2: Palladium(IV) Intermediates in a One-Electron Oxidation Reaction
• Authors of publication: Michael P. Lanci; Matthew S. Remy; Werner Kaminsky; James M. Mayer; Melanie S. Sanford
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15618 - 15620
• a: 15.508 ± 0.0004 Å
• b: 16.1827 ± 0.0005 Å
• c: 16.3415 ± 0.0006 Å
• α: 90.5519 ± 0.0011°
• β: 99.3054 ± 0.0011°
• γ: 103.893 ± 0.0016°
• Cell volume: 3923.7 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No