Information card for entry 7706840

Structure parameters

• Formula: C37.42 H38 N6 Ni3 O20
• Calculated formula: C30.92 H21 N4 Ni3 O17
• 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: 27.123 ± 0.0002 Å
• b: 27.123 ± 0.0002 Å
• c: 38.1727 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 24319.7 ± 0.3 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No