Information card for entry 7035821

Structure parameters

• Formula: C10 H4 Cu N O5
• Calculated formula: C10 H4 Cu N O5
• Title of publication: Merging open metal sites and Lewis basic sites in a NbO-type metal-organic framework for improved C2H2/CH4 and CO2/CH4 separation.
• Authors of publication: Song, Chengling; Hu, Jiayi; Ling, Yajing; Feng, Yunlong; Chen, De-Li; He, Yabing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14823 - 14829
• a: 18.7626 ± 0.0003 Å
• b: 18.7626 ± 0.0003 Å
• c: 37.7902 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11521.2 ± 0.5 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: 0.0771
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No