Information card for entry 7703595

Structure parameters

• Formula: C49.5 H50.5 Cu4 N9.5 O17.5
• Calculated formula: C39 H24 Cu4 N6 O14
• Title of publication: A hydrostable cage-based MOF with open metal sites and Lewis basic sites immobilized in the pore surface for efficient separation and purification of natural gas and C₂H₂.
• Authors of publication: Jiang, Zhenzhen; Zou, Ying; Xu, Tingting; Fan, Lihui; Zhou, Ping; He, Yabing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3553 - 3561
• a: 18.4889 ± 0.0006 Å
• b: 18.4889 ± 0.0006 Å
• c: 55.2602 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16359.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2129
• 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