Information card for entry 7036008

Structure parameters

• Formula: C28 H45 Cl2 F3 N5 P Pd
• Calculated formula: C28 H45 Cl2 F3 N5 P Pd
• SMILES: [Pd]1(=C(N([P]1(C(C)(C)C)C(C)(C)C)c1ccc(cc1)C(F)(F)F)N(C(C)C)C(C)C)(Cl)Cl.N#CC.N#CC.N#CC
• Title of publication: Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings.
• Authors of publication: Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1967 - 1975
• a: 12.6614 ± 0.0003 Å
• b: 15.7007 ± 0.0003 Å
• c: 16.89 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3357.61 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0224
• Weighted residual factors for all reflections included in the refinement: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No