Information card for entry 4329669

Structure parameters

• Formula: C98 H102 N4 O50 Zn9
• Calculated formula: C98 H79 N4 O50 Zn9
• 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: 30.464 ± 0.0013 Å
• b: 31.004 ± 0.0013 Å
• c: 18.902 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17853 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No