Information card for entry 1571092

Structure parameters

• Chemical name: HIAM-4040-OH-EtOH
• Formula: C33 H20 N2 O27 Zr6
• Calculated formula: C33 H20 N2 O27 Zr6
• Title of publication: Reticular chemistry guided precise construction of zirconium-pentacarboxylate frameworks with 5-connected Zr₆ clusters.
• Authors of publication: Peng, Tianyou; Han, Chao-Qin; Xia, Hai-Lun; Zhou, Kang; Zhang, Jian; Si, Jincheng; Wang, Lei; Miao, Jiafeng; Guo, Fu-An; Wang, Hao; Qu, Lu-Lu; Xu, Guozhong; Li, Jing; Liu, Xiao-Yuan
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 3174 - 3181
• a: 25.437 ± 0.002 Å
• b: 28.85 ± 0.002 Å
• c: 12.9217 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9482.7 ± 1.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1433
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.3269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No