Information card for entry 4349662

Structure parameters

• Common name: HHU-1
• Chemical name: HHU-1
• Formula: C45 H27 Cu2 N5 O13
• Calculated formula: C45 H27 Cu2 N5 O13
• Title of publication: A mesoporous (3,36)-connected txt-type metal‒organic framework constructed by using a naphthyl-embedded ligand exhibiting high CO2 storage and selectivity
• Authors of publication: Lu, Zhiyong; Zhang, Jianfeng; He, Haiyan; Du, Liting; Hang, Cheng
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 736
• a: 41.4734 ± 0.0004 Å
• b: 41.4734 ± 0.0004 Å
• c: 41.4734 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 71336 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No