Information card for entry 7716410

Structure parameters

• Formula: C17 H13 Cl N4 O Pd S
• Calculated formula: C17 H13 Cl N4 O Pd S
• Title of publication: Fabrication of thiosemicarbazone based Pd(II) complexes: Structural elucidations, catalytic activity towards Suzuki-Miyaura coupling reaction and antitumor activity against TNBC cells
• Authors of publication: Bera, Biswajit; Jana, Pulak; Mandal, Subrata; Kundu, Sudip; Das, Akash; Chattopadhyay, Krishnananda; Mondal, Tapan Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 7.7838 ± 0.0007 Å
• b: 15.0161 ± 0.0013 Å
• c: 14.8265 ± 0.0014 Å
• α: 90°
• β: 99.514 ± 0.003°
• γ: 90°
• Cell volume: 1709.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No