Information card for entry 4329670

Structure parameters

• Formula: C84 H80 N2 O53 Zn10
• Calculated formula: C84 H40 N2 O53 Zn10
• 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: 21.883 ± 0.002 Å
• b: 21.883 ± 0.002 Å
• c: 40.184 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19243 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No