Information card for entry 7058152

Structure parameters

• Formula: C52 H37 N7 O30 Zn6
• Calculated formula: C52 H37 N7 O30 Zn6
• Title of publication: Assembly of metal‒organic frameworks based on 4-connected 3,3′,5,5′-azobenzenetetracarboxylic acid: structures, magnetic properties, and sensing of Fe3+ ions
• Authors of publication: Di, Min; Shen, Jingwen; Cui, Zheng; Zhang, Xiaoying; Zhang, Jingping
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4226
• a: 22.848 ± 0.001 Å
• b: 22.848 ± 0.001 Å
• c: 20.33 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9191 ± 1.1 ų
• Cell temperature: 170.15 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 5
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No