Information card for entry 4345692

Structure parameters

• Formula: C58 H38 Cl F12 O P3 Pd Sn
• Calculated formula: C54 H30 Cl F12 P3 Pd Sn
• SMILES: c12c(c(c(c(c1F)F)F)F)[P](c1ccccc1)(c1ccccc1)[Pd]13(Cl)[Sn]2(c2c(c(c(c(c2F)F)F)F)[P]1(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)F)F)[P]3(c1ccccc1)c1ccccc1
• 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: 13.4251 ± 0.0006 Å
• b: 13.4251 ± 0.0006 Å
• c: 48.583 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7583.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No