Information card for entry 4348311

Structure parameters

• Formula: C23 H16 Cu N6 O4 S
• Calculated formula: C23 H16 Cu N6 O4 S
• Title of publication: A metal‒organic framework as a highly efficient and reusable catalyst for the solvent-free 1,3-dipolar cycloaddition of organic azides to alkynes
• Authors of publication: Li, Peng; Regati, Sridhar; Huang, Huicai; Arman, Hadi D.; Zhao, John C.-G.; Chen, Banglin
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 42
• a: 8.886 ± 0.002 Å
• b: 10.307 ± 0.003 Å
• c: 12.913 ± 0.003 Å
• α: 68.732 ± 0.011°
• β: 70.997 ± 0.018°
• γ: 85.639 ± 0.018°
• Cell volume: 1040.9 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No