Information card for entry 7062558

Structure parameters

• Formula: C42 H40 Cu I N4 S2
• Calculated formula: C42 H40 Cu I N4 S2
• Title of publication: Highly active higher coordinated copper(i)–N-heterocyclic chalcogenone catalysed click chemistry
• Authors of publication: Mandal, Suman; Harijan, Dinesh; Muduli, Gopendra; Subramaniyam, Kalaivanan; Rengan, Aravind Kumar; Prabusankar, Ganesan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 15027 - 15035
• a: 28.154 ± 0.006 Å
• b: 10.252 ± 0.002 Å
• c: 14.169 ± 0.003 Å
• α: 90°
• β: 114.508 ± 0.012°
• γ: 90°
• Cell volume: 3721.2 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No