Information card for entry 7229582

Structure parameters

• Formula: C39 H32 Cu N3 O8 S3
• Calculated formula: C39 H32 Cu N3 O8 S3
• Title of publication: Photocatalytic copper-catalyzed azide‒alkyne cycloaddition click reaction with Cu(ii) coordination polymer
• Authors of publication: Guo, Xiangyang; Zeng, Le; Wang, Zhe; Zhang, Tiexin; He, Cheng; Duan, Chunying
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 83
• Pages of publication: 52907
• a: 16.213 ± 0.012 Å
• b: 19.359 ± 0.014 Å
• c: 12.323 ± 0.009 Å
• α: 90°
• β: 90.991 ± 0.012°
• γ: 90°
• Cell volume: 3867 ± 5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• 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: 0.2434
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No