Information card for entry 4316574

Structure parameters

• Formula: C32.5 H34.5 N1.5 O13.5 Zn2
• Calculated formula: C30 H21 O8 Zn2
• Title of publication: Supramolecular Isomerism in Honeycomb Metal-Organic Frameworks Driven by CH...π Interactions: Homochiral Crystallization from an Achiral Ligand through Chiral Inducement
• Authors of publication: Xiaoliang Zhao; Haiyan He; Fangna Dai; Daofeng Sun; Yanxiong Ke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8650 - 8652
• a: 16.5812 ± 0.0011 Å
• b: 16.5812 ± 0.0011 Å
• c: 28.105 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6691.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No