Information card for entry 7230470

Structure parameters

• Chemical name: bis(2-benzyl-3,5-diphenyl-2,3-dihydro-1H-pyrazol-1-yl)palladium(IV) chloride
• Formula: C22 H18 Cl N2 Pd0.5
• Calculated formula: C22 H18 Cl N2 Pd0.5
• Title of publication: Synthesis, characterization and evaluation of bulky bis(pyrazolyl)palladium complexes in Suzuki‒Miyaura cross-coupling reactions
• Authors of publication: Ocansey, Edward; Darkwa, James; Makhubela, Banothile C. E.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 25
• Pages of publication: 13826
• a: 6.7767 ± 0.0006 Å
• b: 10.2586 ± 0.0009 Å
• c: 13.5319 ± 0.0013 Å
• α: 102.123 ± 0.002°
• β: 98.442 ± 0.002°
• γ: 94.97 ± 0.002°
• Cell volume: 903.05 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0316
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No