Information card for entry 4305173

Structure parameters

• Formula: C28 H40 N8 O4 P2 Pt S2
• Calculated formula: C28 H40 N8 O4 P2 Pt S2
• SMILES: C1N(CN2CN(C[P]1([Pt]([P]13CN(CN(C3)CN(C1)C(=O)C)C(=O)C)(Sc1ccccn1)Sc1ccccn1)C2)C(=O)C)C(=O)C
• 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: 10.047 ± 0.007 Å
• b: 10.559 ± 0.007 Å
• c: 15.598 ± 0.011 Å
• α: 90°
• β: 100.878 ± 0.012°
• γ: 90°
• Cell volume: 1625 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0939
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No