Information card for entry 7235260

Structure parameters

• Formula: C18 H20 N6 Pd S2
• Calculated formula: C18 H20 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: 17.313 ± 0.0007 Å
• b: 13.4192 ± 0.0006 Å
• c: 19.7406 ± 0.0009 Å
• α: 90°
• β: 115.153 ± 0.002°
• γ: 90°
• Cell volume: 4151.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No