Information card for entry 4305171

Structure parameters

• Formula: C12 H17 Cl3 N4 P Pt0.5 S
• Calculated formula: C12 H17 Cl3 N4 P Pt0.5 S
• Title of publication: Synthesis, Characterization, and in Vitro Cytotoxicity of Some Gold(I) and Trans Platinum(II) Thionate Complexes Containing Water-Soluble PTA and DAPTA Ligands. X-ray Crystal Structures of [Au(SC4H3N2)(PTA)], trans-[Pt(SC4H3N2)2(PTA)2], trans-[Pt(SC5H4N)2(PTA)2], and trans-[Pt(SC5H4N)2(DAPTA)2]
• Authors of publication: Susana Miranda; Elena Vergara; Fabian Mohr; Dick de Vos; Elena Cerrada; Aránzazu Mendía; Mariano Laguna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5641 - 5648
• a: 6.0782 ± 0.0012 Å
• b: 27.124 ± 0.005 Å
• c: 10.99 ± 0.002 Å
• α: 90°
• β: 103.3 ± 0.03°
• γ: 90°
• Cell volume: 1763.3 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No