Information card for entry 7704343

Structure parameters

• Formula: C37 H50 Cu2 N6 O16
• Calculated formula: C23 H12 Cu2 N O11
• Title of publication: Immobilization of N-oxide functionality into NbO-type MOFs for significantly enhanced C₂H₂/CH₄ and CO₂/CH₄ separations.
• Authors of publication: Xu, Tingting; Fan, Lihui; Jiang, Zhenzhen; Zhou, Ping; Li, Ziruo; Lu, Huangyan; He, Yabing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 21
• Pages of publication: 7174 - 7181
• a: 18.6199 ± 0.0003 Å
• b: 18.6199 ± 0.0003 Å
• c: 38.2895 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11496.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No