Information card for entry 4511400

Structure parameters

• Formula: C66 H58 N6 O38 S8 Zn7
• Calculated formula: C66 H58 N6 O38 S8 Zn7
• 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: 15.5168 ± 0.0007 Å
• b: 16.779 ± 0.0008 Å
• c: 18.7394 ± 0.0011 Å
• α: 94.142 ± 0.004°
• β: 113.527 ± 0.005°
• γ: 110.215 ± 0.004°
• Cell volume: 4070.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No