Information card for entry 7058862

Structure parameters

• Formula: C36 H43 Cl4 Cu2 N8 O2 S2
• Calculated formula: C36 H43 Cl4 Cu2 N8 O2 S2
• Title of publication: Copper(ii) accelerated azide‒alkyne cycloaddition reaction using mercaptopyridine-based triazole ligands
• Authors of publication: Gonzalez-Silva, Karen; Rendon-Nava, David; Alvarez-Hernández, Alejandro; Mendoza-Espinosa, Daniel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 16538
• a: 12.4862 ± 0.0004 Å
• b: 13.9075 ± 0.0005 Å
• c: 14.5276 ± 0.0005 Å
• α: 73.7 ± 0.003°
• β: 68.919 ± 0.003°
• γ: 66.43 ± 0.004°
• Cell volume: 2129.73 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No