Information card for entry 7051763

Structure parameters

• Formula: C26 H22 N3 O P Pd S
• Calculated formula: C26 H22 N3 O P Pd S
• SMILES: [Pd]12(Oc3ccccc3C=[N]2N=C(S1)N)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 7.5385 ± 0.0004 Å
• b: 10.2179 ± 0.0005 Å
• c: 16.9756 ± 0.0009 Å
• α: 77.025 ± 0.001°
• β: 80.819 ± 0.001°
• γ: 71.567 ± 0.001°
• Cell volume: 1203.27 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.029
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No