Information card for entry 1508520

Structure parameters

• Chemical name: (OC-6-54)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)aquamethoxidoplatinum(IV) trifluoroacetate
• Formula: C7 H17 Cl2 F3 N2 O4 Pt
• Calculated formula: C7 H17 Cl2 F3 N2 O4 Pt
• SMILES: [Pt]1(Cl)(Cl)([OH2])(OC)[NH2]CC[N]1(C)C.[O-]C(=O)C(F)(F)F
• Title of publication: Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity.
• Authors of publication: Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2012
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 11052 - 11061
• a: 6.1836 ± 0.0002 Å
• b: 8.0658 ± 0.0003 Å
• c: 15.5374 ± 0.0007 Å
• α: 102.217 ± 0.003°
• β: 92.75 ± 0.003°
• γ: 108.655 ± 0.002°
• Cell volume: 711.98 ± 0.05 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: 0.0253
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No