Information card for entry 4085703

Structure parameters

• Formula: C40 H48 Cl2 N4 Pd
• Calculated formula: C40 H48 Cl2 N4 Pd
• Title of publication: Palladium Complexes with Tetrahydropyrimidin-2-ylidene Ligands: Catalytic Activity for the Direct Arylation of Furan, Thiophene, and Thiazole Derivatives
• Authors of publication: Karaca, Emine Özge; Gürbüz, Nevin; Özdemir, İsmail; Doucet, Henri; Şahin, Onur; Büyükgüngör, Orhan; Çetinkaya, Bekir
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2487
• a: 11.5964 ± 0.0004 Å
• b: 11.8227 ± 0.0004 Å
• c: 14.6421 ± 0.0005 Å
• α: 86.744 ± 0.003°
• β: 74.771 ± 0.004°
• γ: 71.997 ± 0.003°
• Cell volume: 1841.47 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No