Information card for entry 7009157

Structure parameters

• Formula: C19 H23 Cl N2 O2 Pt S2
• Calculated formula: C19 H23 Cl N2 O2 Pt S2
• SMILES: [Pt]1([S]=C(N=C(O1)c1ccccc1)N(CC)CC)(Cl)[S](=O)(C)c1ccccc1
• 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: 8.612 ± 0.002 Å
• b: 11.776 ± 0.002 Å
• c: 13.374 ± 0.003 Å
• α: 115.11 ± 0.02°
• β: 86.44 ± 0.02°
• γ: 66.25 ± 0.02°
• Cell volume: 1078.8 ± 0.5 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: 0.062
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections: 0.1587
• Weighted residual factors for significantly intense reflections: 0.1535
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No