Information card for entry 1574563

Structure parameters

• Formula: C49.75 H61.3 Cl3 K N4 O18.15
• Calculated formula: C49.75 H61.3 Cl3 K N4 O18.15
• Title of publication: Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety
• Authors of publication: Hirayama, Yuto; Ito, Akitaka; Ochi, Rika
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 3214 - 3218
• a: 12.0536 ± 0.0004 Å
• b: 14.4733 ± 0.0005 Å
• c: 17.464 ± 0.0005 Å
• α: 90.685 ± 0.002°
• β: 105.563 ± 0.002°
• γ: 108.209 ± 0.003°
• Cell volume: 2772.69 ± 0.17 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1897
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No