Information card for entry 7062270

Structure parameters

• Formula: C14 H12 Cl2 N2 O Pd S
• Calculated formula: C14 H12 Cl2 N2 O Pd S
• SMILES: [Pd]12([N](=Nc3c(O2)ccc(Cl)c3)c2ccccc2[S]1CC)Cl
• Title of publication: New palladium(ii) and platinum(ii) complexes with an ONS donor azo-thioether pincer ligand: synthesis, characterization, protein binding study and in vitro cytotoxicity
• Authors of publication: Das, Akash; Saha, Moumita; Mandal, Subrata; Das, Sanjib; Das Saha, Krishna; Mondal, Tapan K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 10
• Pages of publication: 4931 - 4943
• a: 7.4987 ± 0.0006 Å
• b: 9.433 ± 0.0007 Å
• c: 11.6092 ± 0.0009 Å
• α: 101.126 ± 0.002°
• β: 103.873 ± 0.002°
• γ: 98.613 ± 0.002°
• Cell volume: 765.5 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No