Information card for entry 4079959

Structure parameters

• Formula: C206 H277 Br16 N39 O16 Pd8
• Calculated formula: C206 H277 Br16 N39 O16 Pd8
• Title of publication: Electrochemical Synthesis of a Tetradentate Copper N-Heterocyclic Carbene Calix[4]arene and Its Transmetalation to Palladium: Activity of the Palladium Complex in Suzuki‒Miyaura Cross-Coupling
• Authors of publication: Bullough, Emma K.; Little, Marc A.; Willans, Charlotte E.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 570
• a: 42.542 ± 0.006 Å
• b: 24.032 ± 0.004 Å
• c: 14.441 ± 0.002 Å
• α: 90°
• β: 95.272 ± 0.007°
• γ: 90°
• Cell volume: 14702 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1069
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2486
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No