Information card for entry 7045501

Structure parameters

• Formula: C54 H42 Cd N14
• Calculated formula: C54 H42 Cd N14
• Title of publication: Neutral ligand TIPA-based two 2D metal-organic frameworks: ultrahigh selectivity of C2H2/CH4 and efficient sensing and sorption of Cr(VI)
• Authors of publication: Fu, Hong-Ru; Zhao, Ying; zhou, zhan; Yang, Xiao-Gang; ma, lufang
• Journal of publication: Dalton Transactions
• Year of publication: 2018
• a: 16.5393 ± 0.0006 Å
• b: 16.5393 ± 0.0006 Å
• c: 21.597 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5116.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0941
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No