Information card for entry 4025708

Structure parameters

• Formula: C14 H16 Cl4 Cu2 N8
• Calculated formula: C14 H16 Cl4 Cu2 N8
• SMILES: c1cccc2CC[N]([Cu]3([n]12)(Cl)[Cl][Cu]1([N](CCc2cccc[n]12)=N#N)([Cl]3)Cl)=N#N
• Title of publication: Chelation-Assisted, Copper(II)-Acetate-Accelerated Azide-Alkyne Cycloaddition
• Authors of publication: Gui-Chao Kuang; Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6540 - 6548
• a: 11.5336 ± 0.0007 Å
• b: 12.7083 ± 0.0008 Å
• c: 7.3491 ± 0.0005 Å
• α: 90°
• β: 105.434 ± 0.001°
• γ: 90°
• Cell volume: 1038.33 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 2.652
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No