Information card for entry 4027365

Structure parameters

• Formula: C62 H92 Cl4 N6 O3 Pd2
• Calculated formula: C62 H92 Cl4 N6 O3 Pd2
• Title of publication: N-Heterocyclic Carbene-Palladium(II)-1-Methylimidazole Complex-Catalyzed Suzuki-Miyaura Coupling of Aryl Sulfonates with Arylboronic Acids
• Authors of publication: Zhan-Yong Wang; Gao-Qi Chen; Li-Xiong Shao
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 6608 - 6614
• a: 16.4227 ± 0.0016 Å
• b: 18.478 ± 0.0019 Å
• c: 25.266 ± 0.003 Å
• α: 90°
• β: 103.557 ± 0.002°
• γ: 90°
• Cell volume: 7453.6 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.2081
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No