Information card for entry 7250943

Structure parameters

• Formula: C54 H60 N10 O17 S4
• Calculated formula: C54 H60 N10 O17 S4
• Title of publication: Tetraimidazolium macrocycle: a versatile building block and precursor for box-type coordination cages
• Authors of publication: Wang, Fang; Hua, Kai
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 36704 - 36709
• a: 13.1874 ± 0.001 Å
• b: 13.5426 ± 0.0009 Å
• c: 16.645 ± 0.0011 Å
• α: 103.076 ± 0.002°
• β: 93.461 ± 0.002°
• γ: 91.759 ± 0.002°
• Cell volume: 2887.3 ± 0.3 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2112
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No