Information card for entry 7706162

Structure parameters

• Formula: C16 Al Cu F36 O6 S
• Calculated formula: C16 Al Cu F36 O6 S
• SMILES: [Cu]1([O](C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)([O]1C(C(F)(F)F)(C(F)(F)F)C(F)(F)F))[O]=S=O
• Title of publication: Extending the chemistry of weakly basic ligands: solvates of Ag⁺ and Cu⁺ stabilized by [Al{OC(CF₃)₃}₄]^- anion as model examples in the screening of useful weakly interacting solvents.
• Authors of publication: Malinowski, Przemysław J; Zhuravlev, Vadim; Jaroń, Tomasz; Santiso-Quinones, Gustavo; Krossing, Ingo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2050 - 2056
• a: 10.7624 ± 0.0004 Å
• b: 17.9916 ± 0.0008 Å
• c: 15.7057 ± 0.0007 Å
• α: 90°
• β: 98.206 ± 0.004°
• γ: 90°
• Cell volume: 3010 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0986
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No