Information card for entry 4329419

Structure parameters

• Formula: C45 H39 N3 O9 Zn2
• Calculated formula: C45 H39 N3 O9 Zn2
• Title of publication: Synthesis, Structures, and Properties of Two Three-Dimensional Metal-Organic Frameworks, Based on Concurrent Ligand Extension
• Authors of publication: Dabin Shi; Yanwei Ren; Huanfeng Jiang; Bowei Cai; Jiaxian Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6498 - 6506
• a: 11.98 ± 0.002 Å
• b: 18.625 ± 0.004 Å
• c: 17.982 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4012.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No