Information card for entry 4506768

Structure parameters

• Formula: C40 H26 N8 O9 Zn2
• Calculated formula: C40 H26 N8 O9 Zn2
• Title of publication: Construction of Metal‒Organic Frameworks Based on Two Neutral Tetradentate Ligands
• Authors of publication: Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Li, Yizhi; Zheng, Hegen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4911
• a: 9.134 ± 0.002 Å
• b: 13.201 ± 0.003 Å
• c: 19.206 ± 0.004 Å
• α: 90.485 ± 0.004°
• β: 98.302 ± 0.004°
• γ: 100.789 ± 0.004°
• Cell volume: 2249.5 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1973
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No