Information card for entry 4329663

Structure parameters

• Formula: C41 H36 O24 S2 Zn4
• Calculated formula: C41 H20 O24 S2 Zn4
• Title of publication: Solvent-Induced Controllable Synthesis, Single-Crystal to Single-Crystal Transformation and Encapsulation of Alq3 for Modulated Luminescence in (4,8)-Connected Metal-Organic Frameworks
• Authors of publication: Ya-Qian Lan; Hai-Long Jiang; Shun-Li Li; Qiang Xu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7484 - 7491
• a: 12.16 ± 0.0011 Å
• b: 26.468 ± 0.003 Å
• c: 26.331 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8474.7 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No