Information card for entry 4345693

Structure parameters

• Formula: C38 H25 Cl3 F8 P2 Pd Sn
• Calculated formula: C38 H25 Cl3 F8 P2 Pd Sn
• SMILES: [Sn]12([Pd](Cl)([P](c3c1c(F)c(F)c(F)c3F)(c1ccccc1)c1ccccc1)[P](c1c2c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1)C.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: 12.1015 ± 0.0005 Å
• b: 12.6975 ± 0.0005 Å
• c: 13.6092 ± 0.0005 Å
• α: 72.985 ± 0.001°
• β: 67.3 ± 0.002°
• γ: 75.069 ± 0.002°
• Cell volume: 1819.75 ± 0.13 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: 0.0262
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No