Information card for entry 7015959

Structure parameters

• Formula: C11 H6 Cu2 N13
• Calculated formula: C11 H6 Cu2 N13
• 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: 16.039 ± 0.002 Å
• b: 9.0345 ± 0.0012 Å
• c: 14.6031 ± 0.0019 Å
• α: 90°
• β: 111.974 ± 0.002°
• γ: 90°
• Cell volume: 1962.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No