Information card for entry 7229302

Structure parameters

• Common name: HHU-4
• Chemical name: HHU-4
• Formula: C66 H30 Cu6 O33
• Calculated formula: C66 H30 Cu6 O33
• Title of publication: Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption
• Authors of publication: Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 75
• Pages of publication: 47219
• a: 24.6748 ± 0.0011 Å
• b: 33.5109 ± 0.0015 Å
• c: 18.4547 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15259.7 ± 1.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No