Information card for entry 4084989

Structure parameters

• Formula: C27.5 H37 B Cl F4 N Pd Si
• Calculated formula: C27.5 H37 B Cl F4 N Pd Si
• Title of publication: Structural Consequences of an Extreme Difference between theTransInfluence of the Donor Atoms in a Palladacycle
• Authors of publication: Koller, Stephan G.; Martín-Romo, Raquel; Melero, José S.; Colquhoun, Victoria P.; Schildbach, Daniel; Strohmann, Carsten; Villafañe, Fernando
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 24
• Pages of publication: 7329
• a: 31.555 ± 0.003 Å
• b: 9.4599 ± 0.0009 Å
• c: 20.025 ± 0.002 Å
• α: 90°
• β: 109.502 ± 0.002°
• γ: 90°
• Cell volume: 5634.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No