Information card for entry 4512682

Structure parameters

• Formula: C24 H8 O14.5 Zn2.5
• Calculated formula: C24 H11 O14.5 Zn2.5
• Title of publication: Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks
• Authors of publication: Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1481
• a: 15.4272 ± 0.0002 Å
• b: 29.416 ± 0.0004 Å
• c: 16.356 ± 0.0002 Å
• α: 90°
• β: 94.595 ± 0.001°
• γ: 90°
• Cell volume: 7398.6 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 2/c 1 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1919
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No