Information card for entry 1571516

Structure parameters

• Formula: C39 H27 N3 O11 S4 Zn2
• Calculated formula: C39 H27 N3 O11 S4 Zn2
• Title of publication: Thermal control over phosphorescence or thermally activated delayed fluorescence in a metal-organic framework.
• Authors of publication: Sun, Huili; Zhang, Qiangsheng; Meng, Liuli; Wang, Zhonghao; Fan, Yanan; Mayor, Marcel; Pan, Mei; Su, Cheng-Yong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 8905 - 8912
• a: 5.924 ± 0.0003 Å
• b: 18.3064 ± 0.0013 Å
• c: 18.6204 ± 0.0012 Å
• α: 106.425 ± 0.006°
• β: 98.852 ± 0.005°
• γ: 92.567 ± 0.005°
• Cell volume: 1905.5 ± 0.2 ų
• Cell temperature: 240 ± 0.1 K
• Ambient diffraction temperature: 240 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No