Information card for entry 7715760

Structure parameters

• Formula: C19 H19 Br N2 O2 Pd S
• Calculated formula: C19 H19 Br N2 O2 Pd S
• Title of publication: Unveiling the promising anticancer activity of palladium(II)-aryl complexes bearing diphosphine ligands: a structure-activity relationship analysis
• Authors of publication: Tonon, Giovanni; Mauceri, Matteo; Cavarzerani, Enrico; Piccolo, Rachele; Santo, Claudio; Demitri, Nicola; Orian, Laura; Nogara, Pablo Andrei; Teixeira Rocha, Joao Batista; Canzonieri, Vincenzo; Rizzolio, Flavio; Visentin, Fabiano; Scattolin, Thomas
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 10.774 ± 0.002 Å
• b: 15.515 ± 0.003 Å
• c: 11.805 ± 0.002 Å
• α: 90°
• β: 95.72 ± 0.03°
• γ: 90°
• Cell volume: 1963.5 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.62 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No