Information card for entry 7047935

Structure parameters

• Formula: C84 H95 N15 O28 Zn3
• Calculated formula: C75 H63 N12 O21 Zn3
• Title of publication: Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO₂ cycloaddition with epoxides.
• Authors of publication: Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 45
• Pages of publication: 16197 - 16204
• a: 19.456 ± 0.0011 Å
• b: 19.456 ± 0.0011 Å
• c: 37.381 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12254.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No