Information card for entry 7153325

Structure parameters

• Formula: C55 H42 Cl8 F3 N O P2 Pd S
• Calculated formula: C55 H42 Cl8 F3 N O P2 Pd S
• Title of publication: New cyclopalladated benzothiophenes: a catalyst precursor for the Suzuki coupling of deactivated aryl chlorides.
• Authors of publication: Subhas, Madavu Salian; Racharlawar, Shailesh S.; Sridhar, B.; Kennady, P. Kavin; Likhar, Pravin R.; Kantam, Mannepalli Lakshmi; Bhargava, Suresh K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 3001 - 3006
• a: 11.9921 ± 0.0015 Å
• b: 13.0949 ± 0.0016 Å
• c: 20.722 ± 0.003 Å
• α: 72.277 ± 0.002°
• β: 75.153 ± 0.002°
• γ: 67.7 ± 0.002°
• Cell volume: 2831 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0629
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No