Information card for entry 7107155

Structure parameters

• Formula: C47 H44 B Cl2 F4 P3 Pt
• Calculated formula: C47 H44 B Cl2 F4 P3 Pt
• SMILES: [Pt]12([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1c1ccccc1.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Electrophilic fluorination of cationic Pt-aryl complexes
• Authors of publication: Shubin Zhao; Rui-Yao Wang; Ha Nguyen; Jennifer J. Becker; Michel R. Gagne
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 443
• a: 11.1844 ± 0.0001 Å
• b: 15.4199 ± 0.0002 Å
• c: 24.7809 ± 0.0003 Å
• α: 90°
• β: 91.93 ± 0.01°
• γ: 90°
• Cell volume: 4271.35 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No