Information card for entry 7237693

Structure parameters

• Formula: C12.54 H13.94 Ag F5 N4.85 O2.85 S
• Calculated formula: C12.544 H13.936 Ag F5 N4.848 O2.848 S
• Title of publication: Construction of a thiourea-based metal‒organic framework with open Ag+ sites for the separation of propene/propane mixtures
• Authors of publication: Chang, Zhiduo; Lin, Rui-Biao; Ye, Yingxiang; Duan, Chunying; Chen, Banglin
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 44
• Pages of publication: 25567
• a: 35.9998 ± 0.001 Å
• b: 35.9998 ± 0.001 Å
• c: 7.8373 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8796.2 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2427
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No