Information card for entry 7135221

Structure parameters

• Formula: C33 H24 N6 Ni O3
• Calculated formula: C33 H24 N6 Ni O3
• 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: 18.4326 ± 0.0005 Å
• b: 18.4326 ± 0.0005 Å
• c: 19.6463 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5780.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No