Information card for entry 4318227

Structure parameters

• Common name: [Pt(S2cyclophane)(cod)][SO3CF3]2
• Formula: C26 H28 F6 O6 Pt S4
• Calculated formula: C26 H28 F6 O6 Pt S4
• SMILES: [Pt]1234([S]5Cc6ccccc6C[S]1Cc1ccccc1C5)[CH]1=[CH]2CC[CH]3=[CH]4CC1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Conformational Behavior and Coordination Chemistry of 2,11-Dithia[3.3]orthocyclophane with Platinum Group Metals
• Authors of publication: Jorge Tiburcio; William D. Jones; Stephen J. Loeb; Hugo Torrens
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3779 - 3785
• a: 11.087 ± 0.002 Å
• b: 11.502 ± 0.002 Å
• c: 13.424 ± 0.003 Å
• α: 82.617 ± 0.003°
• β: 70.159 ± 0.003°
• γ: 66.268 ± 0.003°
• Cell volume: 1474 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No