Information card for entry 7117226

Structure parameters

• Formula: C127 H224 In5 N29 O87
• Calculated formula: C85 H55 In5 N10 O25
• Title of publication: Periodic tiling of triangular and square nanotubes in a cationic metal-organic framework for selective anion exchange
• Authors of publication: Song, Bai-Qiao; Wang, Xin-Long; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 46
• Pages of publication: 9515 - 9518
• a: 15.3713 ± 0.0011 Å
• b: 37.512 ± 0.003 Å
• c: 38.979 ± 0.003 Å
• α: 90°
• β: 105.255 ± 0.002°
• γ: 90°
• Cell volume: 21684 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No