Information card for entry 7047306

Structure parameters

• Formula: C138 H118 N4 O33 Zn8
• Calculated formula: C126 H84 O26.9999 Zn8
• Title of publication: Tuning the gate opening pressure of a flexible doubly interpenetrated metal-organic framework through ligand functionalization.
• Authors of publication: Sun, Xiaodong; Ma, Yali; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Zhang, Lirong; Liu, Yunling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 13158 - 13163
• a: 21.613 ± 0.003 Å
• b: 21.613 ± 0.003 Å
• c: 78.182 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31628 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No