Information card for entry 4516790

Structure parameters

• Formula: C48 H72 N8 O44 Ti8 Zr2
• Calculated formula: C48 H72 N8 O44 Ti8 Zr2
• Title of publication: [Ti₈Zr₂O₁₂(COO)₁₆] Cluster: An Ideal Inorganic Building Unit for Photoactive Metal-Organic Frameworks.
• Authors of publication: Yuan, Shuai; Qin, Jun-Sheng; Xu, Hai-Qun; Su, Jie; Rossi, Daniel; Chen, Yuanping; Zhang, Liangliang; Lollar, Christina; Wang, Qi; Jiang, Hai-Long; Son, Dong Hee; Xu, Hongyi; Huang, Zhehao; Zou, Xiaodong; Zhou, Hong-Cai
• Journal of publication: ACS central science
• Year of publication: 2018
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 105 - 111
• a: 24.26 ± 0.004 Å
• b: 24.26 ± 0.004 Å
• c: 24.26 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14278 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0219
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No