Information card for entry 7055255

Structure parameters

• Chemical name: 1
• Formula: C24 H95 As Cu4 N16 Nb12 O52 V4
• Calculated formula: C24 H80 As Cu4 N16 Nb12 O52 V4
• Title of publication: An arsenicniobate-based 3D framework with selective adsorption and anion-exchange properties
• Authors of publication: Li, Ning; Liu, Yiwei; Lu, Ying; He, Danfeng; Liu, Shumei; Wang, Xingquan; Li, Yangguang; Liu, Shuxia
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2220
• a: 15.295 ± 0.005 Å
• b: 15.295 ± 0.005 Å
• c: 19.43 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4545 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 8
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1863
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No