Information card for entry 4508543

Structure parameters

• Formula: C18 H6 Cu3 O12 S12.5
• Calculated formula: C18 H6 Cu3 O12 S7.56
• Title of publication: A Metal‒Organic Framework with Open Metal Sites for Enhanced Confinement of Sulfur and Lithium‒Sulfur Battery of Long Cycling Life
• Authors of publication: Wang, Ziqi; Li, Xiang; Cui, Yuanjing; Yang, Yu; Pan, Hongge; Wang, Zhiyu; Wu, Chuande; Chen, Banglin; Qian, Guodong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 5116
• a: 26.3657 ± 0.0009 Å
• b: 26.3657 ± 0.0009 Å
• c: 26.3657 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18328.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No