Information card for entry 7238691

Structure parameters

• Formula: C18 H13 Cl N4 O Pd S
• Calculated formula: C18 H13 Cl N4 O2 Pd S
• Title of publication: Mixed-ligand benzaldehyde thiosemicarbazone complexes of palladium containing N,O-donor ancillary ligands. Syntheses, structures, and catalytic application in C‒C and C‒N coupling reactions
• Authors of publication: Dutta, Jayita; Datta, Sayanti; Kumar Seth, Dipravath; Bhattacharya, Samaresh
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 31
• Pages of publication: 11751
• a: 15.5491 ± 0.0014 Å
• b: 7.6562 ± 0.0007 Å
• c: 15.7781 ± 0.0014 Å
• α: 90°
• β: 105.304 ± 0.007°
• γ: 90°
• Cell volume: 1811.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• 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: 0.1101
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.2265
• Goodness-of-fit parameter for all reflections included in the refinement: 0.719
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No