Information card for entry 1567195

Structure parameters

• Formula: C12 H6 N6 S Zn
• Calculated formula: C12 H6 N6 S Zn
• Title of publication: Building an emission library of donor-acceptor-donor type linker-based luminescent metal-organic frameworks.
• Authors of publication: Xia, Hai-Lun; Zhou, Kang; Wu, Shenjie; Ren, Daming; Xing, Kai; Guo, Jiandong; Wang, Xiaotai; Liu, Xiao-Yuan; Li, Jing
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 27
• Pages of publication: 8036 - 8044
• a: 16.549 ± 0.0014 Å
• b: 16.549 ± 0.0014 Å
• c: 12.4563 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3411.4 ± 0.5 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No