Information card for entry 7061249

Structure parameters

• Formula: C40 H34 N4 O P2 Pd S
• Calculated formula: C40 H34 N4 O P2 Pd S
• SMILES: [Pd]1(Nn2c(S1)nnc(c2=O)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: In vitro cytotoxicity and antibacterial activity of [Pd(AMTTO)(PPh3)2]: a novel promising palladium(ii) complex
• Authors of publication: Goudarzi, Atousa; Ghassemzadeh, Mitra; Saeidifar, Maryam; Aghapoor, Kioumars; Mohsenzadeh, Farshid; Neumüller, Bernhard
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 3026 - 3034
• a: 10.087 ± 0.001 Å
• b: 19.325 ± 0.001 Å
• c: 18.562 ± 0.001 Å
• α: 90°
• β: 93.06 ± 0.01°
• γ: 90°
• Cell volume: 3613.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0316
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No