Information card for entry 7045500

Structure parameters

• Formula: C29 H24.5 N7 Ni O6
• Calculated formula: C29 H27 N7 Ni O6
• 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: 9.2283 ± 0.0009 Å
• b: 15.0673 ± 0.001 Å
• c: 25.829 ± 0.002 Å
• α: 90°
• β: 98.81 ± 0.008°
• γ: 90°
• Cell volume: 3549 ± 0.5 ų
• Cell temperature: 287.4 ± 0.4 K
• Ambient diffraction temperature: 287.4 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.227
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No