Information card for entry 7704344

Structure parameters

• Formula: C37 H50 Cu2 N6 O16
• Calculated formula: C22 H11 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: 18.5543 ± 0.0007 Å
• b: 18.5543 ± 0.0007 Å
• c: 38.4604 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11466.6 ± 0.8 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: 0.0601
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No