Information card for entry 4349983

Structure parameters

• Formula: C78 H84 Cd3 N6 O18
• Calculated formula: C78 H84 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: 9.6181 ± 0.0011 Å
• b: 14.5436 ± 0.0016 Å
• c: 14.7499 ± 0.0016 Å
• α: 70.015 ± 0.002°
• β: 85.621 ± 0.002°
• γ: 89.318 ± 0.002°
• Cell volume: 1933.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No