Information card for entry 4305172

Structure parameters

• Formula: C10 H15 N5 P Pt0.5 S
• Calculated formula: C10 H15 N5 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: 6.271 ± 0.005 Å
• b: 10.186 ± 0.005 Å
• c: 11.126 ± 0.005 Å
• α: 66.214 ± 0.005°
• β: 82.432 ± 0.005°
• γ: 72.388 ± 0.005°
• Cell volume: 619.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No