Information card for entry 1565462

Structure parameters

• Formula: C18 H31 Cl O P2 Pd S
• Calculated formula: C18 H31 Cl O P2 Pd S
• Title of publication: Novel and facile procedure for the synthesis of Ni(II) and Pd(II) PSCOP pincer complexes. Evaluation of their catalytic activity on C-S, C-Se and C-C cross coupling reactions
• Authors of publication: Valderrama-García, Bianca X.; Rufino-Felipe, Ernesto; Valdés, Hugo; Hernandez-Ortega, Simón; Aguilar-Castillo, Bethsy Adriana; Morales-Morales, David
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 502
• Pages of publication: 119283
• a: 8.1369 ± 0.001 Å
• b: 10.8673 ± 0.0013 Å
• c: 13.3669 ± 0.0016 Å
• α: 99.505 ± 0.002°
• β: 99.254 ± 0.002°
• γ: 89.829 ± 0.002°
• Cell volume: 1150.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No