Information card for entry 7056493

Structure parameters

• Formula: C30 H26 N6 O4 Pd S2
• Calculated formula: C30 H26 N6 O4 Pd S2
• SMILES: [Pd]12([N](N=C(S1)Nc1ccccc1)=Cc1cccc(OC)c1O2)[S]=C1NN=C(N1c1ccccc1)c1cccc(OC)c1O
• Title of publication: Structurally different mono, bi and trinuclear Pd(II) complexes and their DNA/Protein interaction, DNA cleavage, anti-oxidant, anti-microbial and cytotoxicity studies
• Authors of publication: Arumugam, Shanmugapriya; Jain, Ruchi; Devaraj, Sabarinathan; Giriraj, Kalaiarasi; Dallemer, Frederic; Prabhakaran, Rathinasabapathi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 18
• Pages of publication: 10324 - 10338
• a: 10.5084 ± 0.0002 Å
• b: 17.0591 ± 0.0004 Å
• c: 16.5361 ± 0.0003 Å
• α: 90°
• β: 96.126 ± 0.002°
• γ: 90°
• Cell volume: 2947.4 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No