Information card for entry 4347583

Structure parameters

• Formula: C27 H36 Cl4 N4 O2 Pt2 S4
• Calculated formula: C27 H36 Cl4 N4 O2 Pt2 S4
• SMILES: [Pt](Cl)(Cl)([n]1ccn(c1c1sc(c(c1)C1=C(CCC1)c1cc(sc1C)c1[n](ccn1C)[Pt](Cl)(Cl)[S](=O)(C)C)C)C)[S](=O)(C)C
• Title of publication: Non-Switching 1,2-Dithienylethene-based Diplatinum(II) Complex Showing High Cytotoxicity.
• Authors of publication: Presa, Andreu; Barrios, Leoní; Cirera, Jordi; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Teat, Simon J.; Gamez, Patrick
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5356 - 5364
• a: 13.339 ± 0.0017 Å
• b: 16.241 ± 0.003 Å
• c: 17.767 ± 0.003 Å
• α: 109.263 ± 0.01°
• β: 90.811 ± 0.01°
• γ: 101.45 ± 0.01°
• Cell volume: 3548 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1513
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.3008
• Weighted residual factors for all reflections included in the refinement: 0.3369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No