Information card for entry 7063405

Structure parameters

• Formula: C118 H98 Cl2 Cu2 N2 P6 Pd Se2
• Calculated formula: C118 H98 Cl2 Cu2 N2 P6 Pd Se2
• Title of publication: Bimetallic Pd/Cu complexes of pyridylchalcogenolates and catalytic activity in Sonogashira reaction
• Authors of publication: Pal, Manoj Kumar; Wadawale, A. P.; Dey, Sandip
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 12.3318 ± 0.0004 Å
• b: 12.7988 ± 0.0005 Å
• c: 19.1873 ± 0.0007 Å
• α: 81.853 ± 0.003°
• β: 77.968 ± 0.003°
• γ: 67.8 ± 0.004°
• Cell volume: 2735.65 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No