Information card for entry 7235261

Structure parameters

• Formula: C30 H14 Cl2 N6 Pd S2
• Calculated formula: C16 H14 Cl2 N6 Pd S2
• 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: 7.908 ± 0.004 Å
• b: 26.302 ± 0.014 Å
• c: 9.794 ± 0.005 Å
• α: 90°
• β: 90.686 ± 0.007°
• γ: 90°
• Cell volume: 2037 ± 1.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1289
• Residual factor for significantly intense reflections: 0.1218
• Weighted residual factors for significantly intense reflections: 0.307
• Weighted residual factors for all reflections included in the refinement: 0.3127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No