Information card for entry 7055219

Structure parameters

• Formula: C48 H52 N6 O4 Pd S2
• Calculated formula: C48 H52 N6 O4 Pd S2
• SMILES: O=C(C)C.C(=O)(C)C.[Pd]12([N](=Cc3c4ccccc4ccc3)N=C(Nc3ccccc3)S2)[N](=Cc2c3ccccc3ccc2)N=C(Nc2ccccc2)S1.O=C(C)C.O=C(C)C
• Title of publication: In Vitro Antiproliferative Activity of Palladium(II) Thiosemicarbazone Complexes and the Corresponding Functionalized Chitosan Coated Magnetite Nanoparticles
• Authors of publication: Spodine, Evgenia; Hernández, Wilfredo; Vaisberg, Abraham; Tobar, Mabel; Alvarez, Melisa; Manzur, Jorge; Echevarría, Yuri
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 1853 - 1860
• a: 7.957 ± 0.005 Å
• b: 9.112 ± 0.005 Å
• c: 16.833 ± 0.01 Å
• α: 80.061 ± 0.009°
• β: 80.638 ± 0.009°
• γ: 82.591 ± 0.009°
• Cell volume: 1179.7 ± 1.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No