Information card for entry 7043206

Structure parameters

• Formula: C20 H18 Cl F6 N4 P
• Calculated formula: C20 H18 Cl F6 N4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].Clc1c(n2c[n+](c3c(cc(cc3C)C)C)cc2)nc2c(n1)cccc2
• Title of publication: Synthesis of Zwitterionic Palladium Complexes and Their Application as Catalysts in Cross-Coupling Reactions of Aryl, Heteroaryl and Benzyl Bromides with Organoboron Reagents in Neat Water
• Authors of publication: Visannagari, Ramakrishna; Nareddula, Dastagiri Reddy
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 24.3122 ± 0.0014 Å
• b: 8.5288 ± 0.0006 Å
• c: 10.4839 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2173.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No