Information card for entry 7720561

Structure parameters

• Common name: SQP5_KPF6
• Formula: C57.1 H58.25 F18 K N5.25 O14.65 P
• Calculated formula: C57.1 H58.25 F18 K N5.25 O14.65 P
• 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: 11.8115 ± 0.0003 Å
• b: 14.1038 ± 0.0004 Å
• c: 20.1361 ± 0.0005 Å
• α: 70.054 ± 0.001°
• β: 88.114 ± 0.001°
• γ: 85.582 ± 0.001°
• Cell volume: 3143.75 ± 0.14 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0549
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No