Information card for entry 7719496

Structure parameters

• Formula: C139 H187 N17 O29 Zn4
• Calculated formula: C74 H44 N4 O16 Zn4
• Title of publication: Rational design and synthesis of a novel ternary metal-organic framework with a (3,5)-connected topology for iodine capture.
• Authors of publication: Yuan, Jingjing; Lei, Honghui; Song, Fahui; Tu, Binbin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 42
• Pages of publication: 15856 - 15863
• a: 23.793 ± 0.005 Å
• b: 23.793 ± 0.005 Å
• c: 49.173 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24108 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No