Information card for entry 7236074

Structure parameters

• Formula: C66 H88 N16 Ni2 O21
• Calculated formula: C50 H32 N12 Ni2 O5
• Title of publication: A (3,8)-connected metal‒organic framework with a unique binuclear [Ni2(μ2-OH)(COO)2] node for high H2 and CO2 adsorption capacities
• Authors of publication: Zhang, Lei; Qian, Jinjie; Yang, Wenbin; Kuang, Xiaofei; Zhang, Jun; Cui, Yixin; Wu, Weiming; Wu, Xiao-Yuan; Lu, Can-Zhong; Chen, Wen-Zhe
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 30
• Pages of publication: 15399
• a: 24.345 ± 0.004 Å
• b: 20.477 ± 0.003 Å
• c: 19.098 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9521 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No