Information card for entry 7051762

Structure parameters

• Formula: C15 H16 N4 O Pd S
• Calculated formula: C15 H16 N4 O Pd S
• SMILES: [Pd]12([N](N=C(S1)N)=C(c1c(O2)cccc1)C)[n]1ccc(cc1)C
• Title of publication: Synthesis, structure, spectroscopic properties and cytotoxic effect of some thiosemicarbazone complexes of palladium
• Authors of publication: Halder, Sarmistha; Peng, Shie-Ming; Lee, Gene-Hsiang; Chatterjee, Tanmay; Mukherjee, Asama; Dutta, Sushanta; Sanyal, Utpal; Bhattacharya, Samaresh
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 105
• a: 8.3942 ± 0.0012 Å
• b: 15.149 ± 0.002 Å
• c: 25.099 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3191.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No