Information card for entry 4510588

Structure parameters

• Formula: C40 H8 Cl Cu4 O16 S8
• Calculated formula: C40 H8 Cl Cu4 O16 S8
• Title of publication: Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites
• Authors of publication: Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 2866
• a: 20.4434 ± 0.0014 Å
• b: 20.4434 ± 0.0014 Å
• c: 20.4434 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8544 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No