Information card for entry 7709682

Structure parameters

• Formula: C62 H45 N5 O13 Zn3
• Calculated formula: C62 H45 N5 O13 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: 12.6898 ± 0.0005 Å
• b: 14.5206 ± 0.0005 Å
• c: 22.7147 ± 0.0008 Å
• α: 85.043 ± 0.001°
• β: 75.307 ± 0.001°
• γ: 64.971 ± 0.001°
• Cell volume: 3667.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0793
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No