Information card for entry 4113714

Structure parameters

• Formula: C97 H90 F8 O3 P8 Pd3
• Calculated formula: C83 H71 F8 O3 P8 Pd3
• Title of publication: Thermal and Electrochemical C-X Activation (X = Cl, Br, I) by the Strong Lewis Acid Pd3(dppm)3(CO)2+ Cluster and Its Catalytic Applications
• Authors of publication: Frédéric Lemaître; Dominique Lucas; Katherine Groison; Philippe Richard; Yves Mugnier; Pierre D. Harvey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 5511 - 5522
• a: 10.8603 ± 0.0001 Å
• b: 37.0351 ± 0.0002 Å
• c: 21.3783 ± 0.0002 Å
• α: 90°
• β: 91.24°
• γ: 90°
• Cell volume: 8596.6 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No