Information card for entry 7009158

Structure parameters

• Formula: C24 H30 N4 O2 Pt S2
• Calculated formula: C24 H30 N4 O2 Pt S2
• SMILES: [Pt]12(OC(=NC(=[S]1)N(CC)CC)c1ccccc1)[S]=C(N=C(O2)c1ccccc1)N(CC)CC
• Title of publication: Chiral and achiral platinum(II) complexes for potential use as chemotherapeutic agents: crystal and molecular structures of cis-[Pt(L1)2] and [Pt(L1)Cl(MPSO)] [HL1 = N,N-diethyl-N '-benzoylthiourea]
• Authors of publication: Sacht, Cheryl; Datt, Michael S.; Otto, Stefanus; Roodt, Andreas
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 727
• a: 9.926 ± 0.002 Å
• b: 12.265 ± 0.003 Å
• c: 21.168 ± 0.005 Å
• α: 90°
• β: 91 ± 0.02°
• γ: 90°
• Cell volume: 2576.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.0918
• Goodness-of-fit parameter for all reflections: 1.13
• Goodness-of-fit parameter for significantly intense reflections: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No