Information card for entry 7057825

Structure parameters

• Chemical name: Zn-BCTA
• Formula: C64 H46 N4 O15 S4 Zn4
• Calculated formula: C64 H46 N4 O15 S4 Zn4
• Title of publication: Thiophene insertion for continuous modulation of the photoelectronic properties of triphenylamine-based metal‒organic frameworks for photocatalytic sulfonylation‒cyclisation of activated alkenes
• Authors of publication: Zhang, Tiexin; Shi, Yusheng; Zhang, Sen; Jia, Chen; He, Cheng; Duan, Chunying
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 22
• Pages of publication: 18448
• a: 32.7017 ± 0.0017 Å
• b: 54.218 ± 0.003 Å
• c: 23.843 ± 0.002 Å
• α: 90°
• β: 132.251 ± 0.001°
• γ: 90°
• Cell volume: 31292 ± 4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No