Information card for entry 7017956

Structure parameters

• Formula: C Ag F3 O3 S
• Calculated formula: C Ag F3 O3 S
• Title of publication: Crystal and electronic structure, lattice dynamics and thermal properties of Ag(i)(SO(3))R (R = F, CF(3)) Lewis acids in the solid state.
• Authors of publication: Grochala, Wojciech; Cyrański, Michał Ksawery; Derzsi, Mariana; Michałowski, Tomasz; Malinowski, Przemysław J; Mazej, Zoran; Kurzydłowski, Dominik; Koźmiński, Wiktor; Budzianowski, Armand; Leszczyński, Piotr J
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 2034 - 2047
• a: 5.312 ± 0.003 Å
• b: 5.312 ± 0.003 Å
• c: 32.66 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 798.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.773
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No