Information card for entry 7055212

Structure parameters

• Formula: C84 H52 Dy4 N O32
• Calculated formula: C84 H52 Dy4 O32
• Title of publication: Lanthanide metal‒organic frameworks based on the 4,4′-oxybisbenzoic acid ligand: synthesis, structures and physical properties
• Authors of publication: Li, Yun; Wang, Ning; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9872
• a: 15.189 ± 0.003 Å
• b: 15.232 ± 0.002 Å
• c: 23.855 ± 0.004 Å
• α: 85.89 ± 0.003°
• β: 79.971 ± 0.003°
• γ: 86.842 ± 0.003°
• Cell volume: 5415.7 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No