Information card for entry 7704477

Structure parameters

• Formula: C60 H84 N12 O26 Zn2
• Calculated formula: C60 H84 N12 O26 Zn2
• 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: 7.0336 ± 0.0006 Å
• b: 16.5823 ± 0.0015 Å
• c: 18.4251 ± 0.0015 Å
• α: 81.687 ± 0.003°
• β: 89.129 ± 0.002°
• γ: 85.846 ± 0.003°
• Cell volume: 2120.8 ± 0.3 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: 0.0908
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2076
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No