Information card for entry 7235265

Structure parameters

• Formula: C26 H22 N3 O P Pd S
• Calculated formula: C26 H22 N3 O 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: 9.9825 ± 0.001 Å
• b: 10.0841 ± 0.001 Å
• c: 26.259 ± 0.003 Å
• α: 100.477 ± 0.005°
• β: 93.419 ± 0.006°
• γ: 96.826 ± 0.005°
• Cell volume: 2571.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.2018
• Weighted residual factors for significantly intense reflections: 0.4921
• Weighted residual factors for all reflections included in the refinement: 0.4961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No