Information card for entry 7246315

Structure parameters

• Formula: C48 H28 N6 O14 S6 Zn3
• Calculated formula: C48 H28 N6 O14 S6 Zn3
• Title of publication: A zinc-based metal–organic framework with a triazine moiety: effective detection of antibiotics and photodegradation dyes in aqueous solution
• Authors of publication: Chen, Xueyi; Tan, Geng; Chen, Wanyu; Chang, Jiaming; Yue, Yuanmeng; Li, Yameng; Weng, Ng Seik; Zhang, Lilei; Feng, Xun
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 1965 - 1975
• a: 4.7442 ± 0.0002 Å
• b: 31.8938 ± 0.001 Å
• c: 15.627 ± 0.0006 Å
• α: 90°
• β: 95.026 ± 0.003°
• γ: 90°
• Cell volume: 2355.44 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No