Information card for entry 7704478

Structure parameters

• Formula: C108 H126 N20 O42 Zn5
• Calculated formula: C108 H126 N20 O42 Zn5
• Title of publication: Synthesis and catalytic activities of a Zn(ii) based metallomacrocycle and a metal-organic framework towards one-pot deacetalization-Knoevenagel tandem reactions under different strategies: a comparative study.
• Authors of publication: Karmakar, Anirban; Soliman, Mohamed M. A.; Rúbio, Guilherme M D M; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8075 - 8085
• a: 15.6267 ± 0.0016 Å
• b: 15.6542 ± 0.0015 Å
• c: 19.192 ± 0.0017 Å
• α: 111.05 ± 0.003°
• β: 99.873 ± 0.003°
• γ: 106.17 ± 0.004°
• Cell volume: 4010.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1024
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.2751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No