Information card for entry 7238351

Structure parameters

• Formula: C58 H40 N2 O12 Zn3
• Calculated formula: C57.9 H39.9 N1.98 O12 Zn3
• Title of publication: Layered and pillar-layered metal‒organic frameworks based on pinwheel trinuclear zinc-carboxylate clusters
• Authors of publication: Cheng, Ai-Ling; Ma, Yu; Sun, Qian; Gao, En-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2721
• a: 16.147 ± 0.003 Å
• b: 16.147 ± 0.003 Å
• c: 16.624 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3753.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No