Information card for entry 4501516

Structure parameters

• Formula: C27 H30 N8 O12 Zn2
• Calculated formula: C27 H23 N8 O12 Zn2
• Title of publication: Eight Two-Dimensional and Three-Dimensional Metal−Organic Frameworks Based on a Flexible Tetrakis(imidazole) Ligand: Synthesis, Topological Structures, and Photoluminescent Properties
• Authors of publication: Bai, Hong-Ye; Ma, Jian-Fang; Yang, Jin; Zhang, Lai-Ping; Ma, Ji-Cheng; Liu, Ying-Ying
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1946
• a: 38.967 ± 0.005 Å
• b: 8.985 ± 0.005 Å
• c: 19.114 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.438 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6686 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No