Information card for entry 4123402

Structure parameters

• Formula: C53 H42 Cl6 F I N2 O P2 Pd
• Calculated formula: C53 H42 Cl6 F I N2 O P2 Pd
• Title of publication: Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis.
• Authors of publication: Andersen, Thomas L.; Friis, Stig D.; Audrain, Hélène; Nordeman, Patrik; Antoni, Gunnar; Skrydstrup, Troels
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1548 - 1555
• a: 10.9999 ± 0.0003 Å
• b: 12.0363 ± 0.0004 Å
• c: 20.4093 ± 0.0007 Å
• α: 82.131 ± 0.003°
• β: 81.984 ± 0.003°
• γ: 74.532 ± 0.003°
• Cell volume: 2564.72 ± 0.15 ų
• Cell temperature: 159 K
• Ambient diffraction temperature: 159 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No