Information card for entry 7029071

Structure parameters

• Formula: C30 H38 O2 Pt S4
• Calculated formula: C30 H38 O2 Pt S4
• SMILES: [Pt]12([S]=C(C=C(O2)c2ccccc2)SCCCCCC)[S]=C(C=C(O1)c1ccccc1)SCCCCCC
• Title of publication: Novel platinum(ii) compounds with O,S bidentate ligands: synthesis, characterization, antiproliferative properties and biomolecular interactions.
• Authors of publication: Mügge, Carolin; Liu, Ruiqi; Görls, Helmar; Gabbiani, Chiara; Michelucci, Elena; Rüdiger, Nadine; Clement, Joachim H.; Messori, Luigi; Weigand, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3072 - 3086
• a: 5.6712 ± 0.0001 Å
• b: 15.4429 ± 0.0003 Å
• c: 34.9571 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3061.53 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No