Information card for entry 4514872

Structure parameters

• Formula: C210 H154 Br2 Cu6 F18 N30 O24
• Calculated formula: C210 H154 Br2 Cu6 F18 N30 O24
• Title of publication: Metal‒Organic Self-Assembled Trefoil Knots for C—Br Bond Activation
• Authors of publication: Prakasam, Thirumurugan; Devaraj, Anthonisamy; Saha, Rupak; Lusi, Matteo; Brandel, Jeremy; Esteban-Gómez, David; Platas-Iglesias, Carlos; Olson, Mark Anthony; Mukherjee, Partha Sarathi; Trabolsi, Ali
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 1907
• a: 15.8225 ± 0.0007 Å
• b: 19.4848 ± 0.0009 Å
• c: 21.1157 ± 0.001 Å
• α: 70.092 ± 0.003°
• β: 81.078 ± 0.003°
• γ: 72.501 ± 0.002°
• Cell volume: 5827.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for significantly intense reflections: 0.3088
• Weighted residual factors for all reflections included in the refinement: 0.3225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.364
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No