Information card for entry 7119753

Structure parameters

• Formula: C104 H145 N19 O55 Zr6
• Calculated formula: C74 H39 N9 O34 Zr6
• Title of publication: Pore modulation of zirconium-organic frameworks for high-efficiency detection of trace proteins.
• Authors of publication: Liu, Chun-Sen; Zhang, Zhi-Hong; Chen, Min; Zhao, Hui; Duan, Feng-He; Chen, Di-Ming; Wang, Ming-Hua; Zhang, Shuai; Du, Miao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 28
• Pages of publication: 3941
• a: 38.9025 ± 0.0007 Å
• b: 38.9025 ± 0.0007 Å
• c: 18.9223 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28637.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No