Information card for entry 7720563

Structure parameters

• Common name: SQP5_TBA2SO4
• Formula: C115.05 H112.57 F24 K2 N13.52 O32 S
• Calculated formula: C115.05 H112.575 F24 K2 N13.525 O32 S
• Title of publication: Competing but Coexisting: Sulfate-and Potassium-Induced Supramolecular Motifs in Squaramide-Based Receptor Complexes
• Authors of publication: Jagleniec, Damian; Wilczek, Marcin; Dobrzycki, Łukasz; Marmur, Tomasz; Marcisz, Kamil; Romanski, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 20.0763 ± 0.0019 Å
• b: 20.094 ± 0.002 Å
• c: 32.699 ± 0.003 Å
• α: 87.699 ± 0.004°
• β: 87.562 ± 0.003°
• γ: 74.488 ± 0.003°
• Cell volume: 12694 ± 2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 1 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: 0.0559
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No