Information card for entry 7034120

Structure parameters

• Formula: C27 H27 F3 N4 O4 Pd S
• Calculated formula: C27 H27 F3 N4 O4 Pd S
• Title of publication: O,N,N-Pincer ligand effects on oxidatively induced carbon-chlorine coupling reactions at palladium.
• Authors of publication: Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 13
• Pages of publication: 6040 - 6051
• a: 13.264 ± 0.011 Å
• b: 13.822 ± 0.011 Å
• c: 17.16 ± 0.014 Å
• α: 80.989 ± 0.015°
• β: 78.907 ± 0.015°
• γ: 64.369 ± 0.013°
• Cell volume: 2774 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.157
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2351
• Weighted residual factors for all reflections included in the refinement: 0.2619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No