Information card for entry 2217019

Structure parameters

• Chemical name: trans-Chlorido[6-chloro-4-(4-methoxybenzyl)-3-oxo-3,4-dihydropyrazin-2- yl]bis(triphenylphosphine)palladium(II)
• Formula: C48 H40 Cl2 N2 O2 P2 Pd
• Calculated formula: C48 H40 Cl2 N2 O2 P2 Pd
• SMILES: [Pd](c1nc(Cl)cn(c1=O)Cc1ccc(cc1)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: <i>trans</i>-Chlorido[6-chloro-4-(4-methoxybenzyl)-3-oxo-3,4-dihydropyrazin-2-yl]bis(triphenylphosphine)palladium(II)
• Authors of publication: Robeyns, Koen; Alen, Jo; De Borggraeve, Wim M.; Compernolle, Frans; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m93 - m93
• a: 10.7544 ± 0.0001 Å
• b: 13.1526 ± 0.0001 Å
• c: 16.9967 ± 0.0001 Å
• α: 91.811 ± 0.001°
• β: 94.39 ± 0.01°
• γ: 98.451 ± 0.001°
• Cell volume: 2368.83 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0302
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes