Information card for entry 7118524

Structure parameters

• Formula: C32 H31 B F4 N8 O2 Pd
• Calculated formula: C32 H31 B F4 N8 O2 Pd
• Title of publication: A mesoionic bis(Py-tzNHC) palladium(ii) complex catalyses "green" Sonogashira reaction through an unprecedented mechanism.
• Authors of publication: Gazvoda, Martin; Virant, Miha; Pevec, Andrej; Urankar, Damijana; Bolje, Aljoša; Kočevar, Marijan; Košmrlj, Janez
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1571 - 1574
• a: 16.4014 ± 0.0006 Å
• b: 19.0245 ± 0.0007 Å
• c: 41.5572 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12967 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No