Information card for entry 4082921

Structure parameters

• Formula: C44.5 H38.5 Br2 Cl1.5 N4 O Pd2 S2
• Calculated formula: C44.5 H38.5 Br2 Cl1.5 N4 O Pd2 S2
• Title of publication: Template-Directed Synthesis of Palladium(II) Sulfonate-NHC Complexes and Catalytic Studies in Aqueous Mizoroki‒Heck Reactions
• Authors of publication: Yuan, Dan; Teng, Qiaoqiao; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1794
• a: 18.5291 ± 0.0016 Å
• b: 18.5291 ± 0.0016 Å
• c: 14.087 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4836.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No