Information card for entry 4336841

Structure parameters

• Chemical name: Chloro-(N,N-dimethylbenzylamine-κN,κC)(tris(para-trifluoromethyl- phenyl)phosphane)platinum(II) bis(dichloromethane) solvate
• Formula: C32 H28 Cl5 F9 N P Pt
• Calculated formula: C32 H28 Cl5 F9 N P Pt
• SMILES: [Pt]1([P](c2ccc(cc2)C(F)(F)F)(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)(Cl)c2ccccc2C[N]1(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Anticancer C,N-Cycloplatinated(II) Complexes Containing Fluorinated Phosphine Ligands: Synthesis, Structural Characterization, and Biological Activity
• Authors of publication: Natalia Cutillas; Alexandra Martínez; Gorakh S. Yellol; Venancio Rodríguez; Ana Zamora; Mónica Pedreño; Antonio Donaire; Christoph Janiak; José Ruiz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13529 - 13535
• a: 13.6261 ± 0.0012 Å
• b: 20.2034 ± 0.0017 Å
• c: 14.4902 ± 0.0012 Å
• α: 90°
• β: 115.163 ± 0.001°
• γ: 90°
• Cell volume: 3610.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No