Information card for entry 7706839

Structure parameters

• Formula: C72 H84 N18 Ni3 O24
• Calculated formula: C54 H42 N12 Ni3 O18
• Title of publication: Two porous Ni-MOFs based on 2,4,6-tris(pyridin-4-yl)-1,3,5-triazine showing solvent determined structures and distinctive sorption properties toward CO₂ and alkanes.
• Authors of publication: Qian, Bin-Bin; Song, Peng-Chao; Nie, Hong-Xiang; Zhang, Bo; Zheng, Jin-Yu; Yu, Mei-Hui; Chang, Ze
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 15
• Pages of publication: 5244 - 5250
• a: 10.13653 ± 0.0001 Å
• b: 25.9159 ± 0.0002 Å
• c: 15.63851 ± 0.00015 Å
• α: 90°
• β: 101.045 ± 0.0009°
• γ: 90°
• Cell volume: 4032.1 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No