Information card for entry 4511398

Structure parameters

• Formula: C24 H8 O16 S4 Zn3
• Calculated formula: C24 O16 S4 Zn3
• Title of publication: Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption
• Authors of publication: He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3493
• a: 33.1272 ± 0.0012 Å
• b: 65.1158 ± 0.001 Å
• c: 19.1804 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 41374.1 ± 1.8 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1258
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.2954
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No