Information card for entry 4349524

Structure parameters

• Formula: C25 H25 Cu N3 O8
• Calculated formula: C25 H25 Cu N3 O8
• Title of publication: A chiral metal‒organic framework with polar channels: unique interweaving six-fold helices and high CO2/CH4 separation
• Authors of publication: Liu, Bo; Zhou, Hui-Fang; Hou, Lei; Zhu, Zhonghua; Wang, Yao-Yu
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1326
• a: 22.4258 ± 0.0016 Å
• b: 22.4258 ± 0.0016 Å
• c: 10.919 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4755.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No