Information card for entry 4345690

Structure parameters

• Formula: C56 H35 Cl2 F12 P3 Pd Sn
• Calculated formula: C56 H35 Cl2 F12 P3 Pd Sn
• SMILES: [Pd]12([Sn](c3c([P]1(c1ccccc1)c1ccccc1)c(F)c(F)c(F)c3F)(c1c([P]2(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F)C)c1c([P](c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F.C(Cl)Cl
• Title of publication: Tin(IV) Compounds with 2-C6F4PPh2 Substituents and Their Reactivity toward Palladium(0): Formation of Tin‒Palladium Complexes via Oxidative Addition
• Authors of publication: Wächtler, Erik; Wahlicht, Sven; Privér, Steven H.; Bennett, Martin A.; Gerke, Birgit; Pöttgen, Rainer; Brendler, Erica; Gericke, Robert; Wagler, Jörg; Bhargava, Suresh K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 13.7596 ± 0.0008 Å
• b: 16.9479 ± 0.001 Å
• c: 22.1692 ± 0.0012 Å
• α: 90°
• β: 92.87 ± 0.001°
• γ: 90°
• Cell volume: 5163.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No