Information card for entry 4337383

Structure parameters

• Formula: C17.25 H16.25 Cl0.75 F3 N3 O3 Pt S
• Calculated formula: C17.25 H16.25 Cl0.75 F3 N3 O3 Pt S
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cccc2)([n]1ccccc1)C.S(=O)(=O)([O-])C(F)(F)F.ClC(Cl)Cl
• Title of publication: Reactions of [PhI(pyridine)2](2+) with Model Pd and Pt II/IV Redox Couples.
• Authors of publication: Corbo, Robert; Georgiou, Dayne C.; Wilson, David J. D.; Dutton, Jason L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1690 - 1698
• a: 13.557 ± 0.003 Å
• b: 14.316 ± 0.003 Å
• c: 20.976 ± 0.004 Å
• α: 89.32 ± 0.03°
• β: 78.53 ± 0.03°
• γ: 86.67 ± 0.03°
• Cell volume: 3983 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No