Information card for entry 7235264

Structure parameters

• Formula: C27 H24 N3 P Pd S
• Calculated formula: C27 H24 N3 P Pd S
• Title of publication: Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling
• Authors of publication: Dutta, Jayita; Bhattacharya, Samaresh
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 27
• Pages of publication: 10707
• a: 9.9753 ± 0.0003 Å
• b: 10.8801 ± 0.0004 Å
• c: 12.5208 ± 0.0004 Å
• α: 90.807 ± 0.002°
• β: 107.726 ± 0.002°
• γ: 109.247 ± 0.002°
• Cell volume: 1212.11 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No