Information card for entry 7236111

Structure parameters

• Formula: C25 H16 Cu2 N2 O11
• Calculated formula: C24 H10 Cu2 N2 O10
• Title of publication: The accessibility of nitrogen sites makes a difference in selective CO2 adsorption of a family of isostructural metal‒organic frameworks
• Authors of publication: Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, YunLong; Krishna, Rajamani; Chen, De-li; He, Yabing
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 38
• Pages of publication: 19417
• a: 18.5565 ± 0.0004 Å
• b: 18.5565 ± 0.0004 Å
• c: 38.6189 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11516.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No