Information card for entry 7112420

Structure parameters

• Formula: C22 H20 F6 N7 O2 P
• Calculated formula: C22 H20 F6 N7 O2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].c1([O-])nc(nc(n1)n1c[n+](cc1)c1ccccc1)n1c[n+](cc1)c1ccccc1.OC
• Title of publication: Novel bisimidazolium pincers as low loading ligands for in situ palladium-catalyzed Suzuki-Miyaura reaction in the ambient atmosphere.
• Authors of publication: Gao, Chao; Zhou, Hongjun; Wei, Siping; Zhao, Yinsong; You, Jingsong; Gao, Ge
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1127 - 1129
• a: 18.2455 ± 0.0003 Å
• b: 15.6917 ± 0.0002 Å
• c: 8.0286 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2298.61 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108800
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No