Information card for entry 7036009

Structure parameters

• Formula: C23 H40.5 Cl2 N2.5 O P Pd
• Calculated formula: C23 H40.5 Cl2 N2.5 O P Pd
• SMILES: [Pd]1(=C(N([P]1(C(C)(C)C)C(C)(C)C)c1ccc(OC)cc1)N(C(C)C)C(C)C)(Cl)Cl.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: 15.5317 ± 0.0003 Å
• b: 10.2561 ± 0.0002 Å
• c: 33.1968 ± 0.0006 Å
• α: 90°
• β: 92.109 ± 0.001°
• γ: 90°
• Cell volume: 5284.49 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.047
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0404
• Weighted residual factors for all reflections included in the refinement: 0.0395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No