Information card for entry 7251804

Structure parameters

• Formula: C32 H16 Br8 N8 O16 Zr2
• Calculated formula: C32 H16 Br8 N8 O16 Zr2
• Title of publication: Substituent Effects in the Crystallization of Zr−Hydroxamate Metal−Organic Frameworks
• Authors of publication: Liu, Yuxin; Shao, Zhen-Wu; Duan, Xiangping; Xiong, Chaozhi; Li, Xiaoting; Liu, Chong
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 16.505 ± 0.004 Å
• b: 16.505 ± 0.004 Å
• c: 15.103 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4114 ± 2 ų
• Cell temperature: 237 K
• Ambient diffraction temperature: 237 K
• Number of distinct elements: 6
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2467
• Weighted residual factors for all reflections included in the refinement: 0.2536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No