Information card for entry 7135224

Structure parameters

• Formula: C64 H46 N14 Ni
• Calculated formula: C64.0002 H46.0002 N13.9998 Ni
• Title of publication: Correlation between coordination environments and sorption selectivity to ⁹⁹TcO₄^- in two-dimensional metal-organic frameworks.
• Authors of publication: Sheng, Daopeng; Zhai, Fuwan; Li, Baoyu; Guo, Chenglong; Hou, Minglei; Jin, Yusheng; Zhang, Yugang; Zhang, Mingxing; Shen, Nannan; Diwu, Juan; Li, Jie; Wang, Shuao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 82
• Pages of publication: 16082 - 16085
• a: 18.651 ± 0.004 Å
• b: 18.651 ± 0.004 Å
• c: 23.358 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7037 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2255
• Residual factor for significantly intense reflections: 0.1344
• Weighted residual factors for significantly intense reflections: 0.3416
• Weighted residual factors for all reflections included in the refinement: 0.3921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No