Information card for entry 1560860

Structure parameters

• Chemical name: ST-sod-Co/Ti
• Formula: C30 H17 Co2 N4 O14 Ti
• Calculated formula: C30 H12.328 Co2 N4 O14 Ti
• 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: 33.2244 ± 0.0002 Å
• b: 33.2244 ± 0.0002 Å
• c: 33.2244 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 36675.1 ± 0.4 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No