Information card for entry 7718651

Structure parameters

• Formula: C20 H17 Cl F3 N5 O5 Pd S
• Calculated formula: C20 H17 Cl F3 N5 O5 Pd S
• Title of publication: Water soluble palladium complexes bearing NNN-pincer ligands: synthesis, DFT modeling, cT-DNA interactions and <i>in vitro</i> cytotoxicity studies against breast cancer cell lines.
• Authors of publication: Sarwar, Hafiz Muhammad Rizwan; Jamshaid, Muhammad; Masood, Sara; Chaudhry, Gul-E-Saba; Fatima, Sameen; Zahra, Itrat; Akhtar, Arusa; Tahir, Muhammad Nawaz; Mughal, Ehsan Ullah; Zafar, M. Naveed
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 9236 - 9249
• a: 12.632 ± 0.0009 Å
• b: 10.6526 ± 0.0008 Å
• c: 17.3754 ± 0.0013 Å
• α: 90°
• β: 90.28 ± 0.004°
• γ: 90°
• Cell volume: 2338.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0615
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No