Information card for entry 4335117

Structure parameters

• Formula: C28 H34 Cl6 N8 P2 Pt S4
• Calculated formula: C28 H34 Cl6 N8 P2 Pt S4
• SMILES: c1(nc2c(s1)cccc2)S[Pt]([P]12CN3CN(C1)CN(C3)C2)([P]12CN3CN(C1)CN(C3)C2)Sc1nc2c(cccc2)s1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines
• Authors of publication: Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6635 - 6647
• a: 6.366 ± 0.0015 Å
• b: 10.743 ± 0.003 Å
• c: 14.321 ± 0.003 Å
• α: 99.225 ± 0.004°
• β: 93.093 ± 0.004°
• γ: 98.438 ± 0.004°
• Cell volume: 953.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No