Information card for entry 1504248

Structure parameters

• Formula: C12 H12 Cl4 Cu2 N8
• Calculated formula: C12 H12 Cl4 Cu2 N8
• SMILES: [Cu]12(Cl)([Cl][Cu]3(Cl)([Cl]1)[n]1ccccc1C[N]3=N#N)[n]1ccccc1C[N]2=N#N
• Title of publication: Apparent copper(II)-accelerated azide-alkyne cycloaddition.
• Authors of publication: Brotherton, Wendy S.; Michaels, Heather A.; Simmons, J. Tyler; Clark, Ronald J.; Dalal, Naresh S.; Zhu, Lei
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4954 - 4957
• a: 6.8184 ± 0.0003 Å
• b: 8.0206 ± 0.0003 Å
• c: 9.7388 ± 0.0003 Å
• α: 68.06 ± 0.001°
• β: 71.71 ± 0.001°
• γ: 89.378 ± 0.001°
• Cell volume: 465.63 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0218
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 2.709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No