Information card for entry 4111212

Structure parameters

• Formula: C26 H28 Br2 Cu2 N6
• Calculated formula: C26 H28 Br2 Cu2 N6
• SMILES: c1cccc2C[N]3(Cc4[n]([Cu]3([n]12)Br)cccc4)CC[N]12Cc3cccc[n]3[Cu]2([n]2c(C1)cccc2)Br
• Title of publication: Highly Active Copper-Based Catalyst for Atom Transfer Radical Polymerization
• Authors of publication: Huadong Tang; Navamoney Arulsamy; Maciej Radosz; Youqing Shen; Nicolay V. Tsarevsky; Wade A. Braunecker; Wei Tang; Krzysztof Matyjaszewski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16277 - 16285
• a: 19.035 ± 0.003 Å
• b: 9.295 ± 0.0015 Å
• c: 17.598 ± 0.003 Å
• α: 90°
• β: 116.169 ± 0.013°
• γ: 90°
• Cell volume: 2794.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No