Information card for entry 7015960

Structure parameters

• Formula: C22 H12 Cu4 N16
• Calculated formula: C22 H12 Cu4 N16
• Title of publication: Unprecedented copper(i)-catalyzed in situ double cycloaddition reaction based on 2-cyanopyrimidine.
• Authors of publication: Wen, Tian; Li, Mian; Zhou, Xiao-Ping; Li, Dan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 21
• Pages of publication: 5684 - 5686
• a: 8.3754 ± 0.0015 Å
• b: 10.891 ± 0.002 Å
• c: 14.418 ± 0.003 Å
• α: 96.696 ± 0.003°
• β: 101.866 ± 0.003°
• γ: 96.275 ± 0.003°
• Cell volume: 1266.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No