Information card for entry 7038904

Structure parameters

• Formula: C28 H16 Cu2 O10
• Calculated formula: C28.3 H16.22 Cu2 O10
• Title of publication: High methane storage and working capacities in a NbO-type metal-organic framework.
• Authors of publication: Song, Chengling; Liu, Huimin; Jiao, Jingjing; Bai, Dongjie; Zhou, Wei; Yildirim, Taner; He, Yabing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7559 - 7562
• a: 18.4039 ± 0.0002 Å
• b: 18.4039 ± 0.0002 Å
• c: 46.9176 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13762.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0765
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2456
• Weighted residual factors for all reflections included in the refinement: 0.2617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.436
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No