Information card for entry 4131681

Structure parameters

• Formula: C38 H28 N8 Ni O2
• Calculated formula: C38 H28 N8 Ni O2
• Title of publication: Identifying the Recognition Site for Selective Trapping of ⁹⁹TcO₄^- in a Hydrolytically Stable and Radiation Resistant Cationic Metal-Organic Framework.
• Authors of publication: Zhu, Lin; Sheng, Daopeng; Xu, Chao; Dai, Xing; Silver, Mark A.; Li, Jie; Li, Peng; Wang, Yaxing; Wang, Yanlong; Chen, Lanhua; Xiao, Chengliang; Chen, Jing; Zhou, Ruhong; Zhang, Chao; Farha, Omar K.; Chai, Zhifang; Albrecht-Schmitt, Thomas E; Wang, Shuao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 42
• Pages of publication: 14873 - 14876
• a: 14.487 ± 0.002 Å
• b: 16.155 ± 0.002 Å
• c: 16.239 ± 0.002 Å
• α: 106.811 ± 0.005°
• β: 109.4 ± 0.005°
• γ: 109.306 ± 0.005°
• Cell volume: 3024.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0922
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No