Information card for entry 7713687

Structure parameters

• Formula: C56 H48 Cu4 N4 S8
• Calculated formula: C56 H48 Cu4 N4 S8
• Title of publication: Tetracopper(I) thiolate- and amido-(SNS) complexes and copper-catalyzed azide-alkyne cycloaddition in water
• Authors of publication: Khanzadeh, Atousa; Ataie, Saeed; Baker, R. Tom
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 24.1902 ± 0.0011 Å
• b: 24.1902 ± 0.0011 Å
• c: 22.8468 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13369.2 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.1684
• Residual factor for significantly intense reflections: 0.1409
• Weighted residual factors for significantly intense reflections: 0.321
• Weighted residual factors for all reflections included in the refinement: 0.3352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No