Information card for entry 7005701

Structure parameters

• Formula: C37 H30 Cl6 N2 P2 Pd
• Calculated formula: C37 H30 Cl6.02 N2 P2 Pd
• Title of publication: Methoxycarbonylation of olefins catalyzed by palladium complexes bearing P,N-donor ligands.
• Authors of publication: Aguirre, Pedro A.; Lagos, Carolina A.; Moya, Sergio A.; Zúñiga, César; Vera-Oyarce, Cristian; Sola, Eduardo; Peris, Gabriel; Bayón, J Carles
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 46
• Pages of publication: 5419 - 5426
• a: 9.6006 ± 0.0007 Å
• b: 13.8728 ± 0.001 Å
• c: 15.8526 ± 0.0011 Å
• α: 94.061 ± 0.002°
• β: 95.855 ± 0.002°
• γ: 99.201 ± 0.002°
• Cell volume: 2065.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1774
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No