Information card for entry 7236058

Structure parameters

• Formula: C32 H18 Co2 N3 Na O12
• Calculated formula: C32 H18 Co2 N3 Na O12
• Title of publication: Size-exclusive and coordination-induced selective dye adsorption in a nanotubular metal‒organic framework
• Authors of publication: Han, Yi; Sheng, Shunan; Yang, Fan; Xie, Yabo; Zhao, Minjian; Li, Jian-Rong
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 24
• Pages of publication: 12804
• a: 14.8967 ± 0.0002 Å
• b: 14.8967 ± 0.0002 Å
• c: 10.0502 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230.26 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 84
• Hermann-Mauguin space group symbol: P 42/m
• Hall space group symbol: -P 4c
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No