Information card for entry 7124022

Structure parameters

• Formula: C21.5 H20.5 N3 O2.5 Zn
• Calculated formula: C20.5 H17.5 N3 O2 Zn
• Title of publication: Revelation of the chiral recognition of alanine and leucine in an l-phenylalanine-based metal-organic framework.
• Authors of publication: Ma, Xue; Zhang, Yanhao; Gao, Yu; Li, Xinglin; Wang, Cuijie; Yuan, Hang; Yu, Ajuan; Zhang, Shusheng; Cui, Yuanyuan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 1034 - 1037
• a: 20.4932 ± 0.0017 Å
• b: 25.8736 ± 0.0011 Å
• c: 9.652 ± 0.0004 Å
• α: 90°
• β: 99.109 ± 0.006°
• γ: 90°
• Cell volume: 5053.3 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.3675
• Weighted residual factors for all reflections included in the refinement: 0.3893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No