Information card for entry 4347504

Structure parameters

• Formula: C23.5 H16 Cu2 O11
• Calculated formula: C23.5 H12 Cu2 O11
• Title of publication: A Chemically Cross-Linked NbO-Type Metal-Organic Framework: Cage or Window Partition?
• Authors of publication: Jiao, Jingjing; Liu, Huimin; Bai, Dongjie; He, Yabing
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 3974 - 3979
• a: 18.6567 ± 0.0005 Å
• b: 18.6567 ± 0.0005 Å
• c: 38.6198 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11641.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0891
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No