Information card for entry 7209602

Structure parameters

• Formula: C24 H12 Cu2 N2 O12
• Calculated formula: C24 H12 Cu2 N2 O12
• Title of publication: Porous NbO-type metal‒organic framework with inserted acylamide groups exhibiting highly selective CO2 capture
• Authors of publication: Zheng, Baishu; Liu, Heting; Wang, Zhaoxu; Yu, Xianyong; Yi, Pinggui; Bai, Junfeng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 3517
• a: 20.3883 ± 0.0013 Å
• b: 20.3883 ± 0.0013 Å
• c: 20.3883 ± 0.0013 Å
• α: 54.956 ± 0.004°
• β: 54.956 ± 0.004°
• γ: 54.956 ± 0.004°
• Cell volume: 5289.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :R
• Hall space group symbol: -P 3* 2
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No