Information card for entry 7709681

Structure parameters

• Formula: C56 H36 N6 O12 Zn3
• Calculated formula: C58 H36 N4 O12 Zn3
• Title of publication: Interpenetrated metal–organic frameworks with enhanced photoluminescence for selective recognition of m-xylene from xylene isomers
• Authors of publication: Zhang, Xiuling; Li, Tingting; Wei, Jiao; Tian, Gao-Hua; Cao, Qing-Ling; Wang, Yu-Jie; Hou, Wen-Li; Zhou, Wen-Feng; Zhang, Zhen-Wei; Hu, Hui; Zhang, Yong-Zheng; Zhang, Da-Shuai; Li, Qing; Geng, Longlong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 42.797 ± 0.011 Å
• b: 27.103 ± 0.007 Å
• c: 23.411 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27155 ± 12 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c e
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.232
• Weighted residual factors for all reflections included in the refinement: 0.2718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No