Information card for entry 4345694

Structure parameters

• Formula: C18 H10 Br F4 P
• Calculated formula: C18 H10 Br F4 P
• SMILES: Brc1c(P(c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F
• 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: 17.1656 ± 0.0009 Å
• b: 5.5388 ± 0.0003 Å
• c: 18.522 ± 0.001 Å
• α: 90°
• β: 114.149 ± 0.001°
• γ: 90°
• Cell volume: 1606.9 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No