Information card for entry 7714460

Structure parameters

• Chemical name: HIAM-4033
• Formula: C79 H50 N6 O32 S3 Zr6
• Calculated formula: C79 H50 N6 O32 S3 Zr6
• Title of publication: Carboxyl Position Directed Structure Diversity in Zirconium-Tricarboxylate Frameworks
• Authors of publication: Xia, Jun; Si, Jincheng; Zhou, Kang; Xia, Hai-Lun; Zhang, Jian; Xu, Yingqian; Wang, Lei; Liu, Xiao-Yuan
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 23.3248 ± 0.0009 Å
• b: 23.3248 ± 0.0009 Å
• c: 32.71 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15411.6 ± 1.3 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No