Information card for entry 7720562

Structure parameters

• Common name: SQP5_KCl_X
• Formula: C54 H53 Cl F12 K N5 O15
• Calculated formula: C54 H53 Cl F12 K N5 O15
• 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: 11.6788 ± 0.0003 Å
• b: 40.5906 ± 0.001 Å
• c: 12.3583 ± 0.0003 Å
• α: 90°
• β: 99.202 ± 0.001°
• γ: 90°
• Cell volume: 5783.1 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 7
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No