Information card for entry 7057057

Structure parameters

• Formula: C18 H19 Cl F6 N5 P Pd
• Calculated formula: C18 H19 Cl F6 N5 P Pd
• Title of publication: Facile one-pot nanocatalysts encapsulation of palladium‒NHC complexes for aqueous Suzuki‒Miyaura couplings
• Authors of publication: Chen, Chao; Zheng, Qing; Ni, Shengliang; Wang, Hangxiang
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 4624
• a: 8.2397 ± 0.0011 Å
• b: 13.5183 ± 0.0013 Å
• c: 21.343 ± 0.002 Å
• α: 90°
• β: 100.006 ± 0.002°
• γ: 90°
• Cell volume: 2341.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No