Information card for entry 7215459

Structure parameters

• Formula: C14 H8 Cu N2 O5
• Calculated formula: C14 H8 Cu N2 O5
• Title of publication: Highly selective carbon dioxide uptake by a microporous kgm-pillared metal‒organic framework with acylamide groups
• Authors of publication: Du, Liting; Yang, Shilong; Xu, Li; Min, Huihua; Zheng, Baishu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 5520
• a: 18.431 ± 0.0017 Å
• b: 18.431 ± 0.0017 Å
• c: 69.911 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20567 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No