Information card for entry 7706272

Structure parameters

• Formula: C19 H23 Cu N3 O9
• Calculated formula: C14 H6 Cu N O7
• Title of publication: An <i>N</i>-oxide-functionalized nanocage-based copper-tricarboxylate framework for the selective capture of C₂H₂.
• Authors of publication: Jiang, Zhenzhen; Fan, Lihui; Zhou, Ping; Xu, Tingting; Chen, Jingxian; Hu, Simin; Chen, De-Li; He, Yabing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15672 - 15681
• a: 18.0487 ± 0.0005 Å
• b: 18.0487 ± 0.0005 Å
• c: 36.3959 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10267.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 155
• Hermann-Mauguin space group symbol: R 3 2 :H
• Hall space group symbol: R 3 2"
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No