Information card for entry 4349981

Structure parameters

• Formula: C72 H72 Cd3 N6 O18
• Calculated formula: C72 H72 Cd3 N6 O18
• Title of publication: Encapsulation of stilbazolium-type dyes into layered metal‒organic frameworks: solvent-dependent luminescence chromisms and their mechanisms
• Authors of publication: Zhao, Li-Ming; Shen, Xia-Qiang; Tan, Li-Ting; Zhang, Wen-Ting; Song, Kai-Yue; Jiang, Rong; Li, Hao-Hong; Chen, Zhi-Rong
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1195
• a: 29.769 ± 0.002 Å
• b: 17.2176 ± 0.0015 Å
• c: 15.6463 ± 0.0014 Å
• α: 90°
• β: 98.13 ± 0.003°
• γ: 90°
• Cell volume: 7938.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No