Information card for entry 4346019

Structure parameters

• Formula: C43 H57 N8 O21 Zn2
• Calculated formula: C43 H27 N5.5 O20.5 Zn2
• Title of publication: Introduction of lewis acidic and redox-active sites into a porous framework for ammonia capture with visual color response.
• Authors of publication: Tan, Bin; Chen, Cheng; Cai, Li-Xuan; Zhang, Ya-Jun; Huang, Xiao-Ying; Zhang, Jie
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3456 - 3461
• a: 11.3257 ± 0.0004 Å
• b: 29.3273 ± 0.0013 Å
• c: 14.7879 ± 0.0007 Å
• α: 90°
• β: 91.693 ± 0.003°
• γ: 90°
• Cell volume: 4909.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.1241
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No