Information card for entry 7058395

Structure parameters

• Formula: C49 H51 Cu4 N9 O25
• Calculated formula: C46 H44 Cu4 N8 O24
• Title of publication: A copper-amidocarboxylate based metal organic macrocycle and framework: synthesis, structure and catalytic activities towards microwave assisted alcohol oxidation and Knoevenagel reactions
• Authors of publication: Karmakar, Anirban; Soliman, Mohamed M. A.; Alegria, Elisabete C. B. A.; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9843
• a: 8.8368 ± 0.0005 Å
• b: 9.9857 ± 0.0006 Å
• c: 16.3956 ± 0.0009 Å
• α: 91.165 ± 0.002°
• β: 103.967 ± 0.003°
• γ: 92.411 ± 0.002°
• Cell volume: 1402.06 ± 0.14 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: 0.0621
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No