Information card for entry 1560859

Structure parameters

• Chemical name: ST-sod-Ni
• Formula: C30 H17 N4 Ni3 O14
• Calculated formula: C25.152 H12.768 N2.808 Ni3 O14
• Title of publication: A window-space-directed assembly strategy for the construction of supertetrahedron-based zeolitic mesoporous metal-organic frameworks with ultramicroporous apertures for selective gas adsorption.
• Authors of publication: Zhang, Lei; Li, Fangfang; You, Jianjun; Hua, Nengbin; Wang, Qianting; Si, Junhui; Chen, Wenzhe; Wang, Wenjing; Wu, Xiaoyuan; Yang, Wenbin; Yuan, Daqiang; Lu, Canzhong; Liu, Yanrong; Al-Enizi, Abdullah M; Nafady, Ayman; Ma, Shengqian
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 5767 - 5773
• a: 32.9754 ± 0.0001 Å
• b: 32.9754 ± 0.0001 Å
• c: 32.9754 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 35856.7 ± 0.19 ų
• Cell temperature: 104.5 ± 0.7 K
• Ambient diffraction temperature: 104.5 ± 0.7 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: 0.0656
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No