Information card for entry 7205275

Structure parameters

• Formula: C10 H11 Cu3 O13 S
• Calculated formula: C10 H11 Cu3 O13 S
• Title of publication: Metal‒organic frameworks based on transition-metal carboxylate clusters as secondary building units: synthesis, structures and properties
• Authors of publication: Zhao, Li-Min; Zhang, Zhen-Jie; Zhang, Shi-Yuan; Cui, Ping; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 907
• a: 8.7544 ± 0.0007 Å
• b: 10.1037 ± 0.0007 Å
• c: 10.4206 ± 0.0006 Å
• α: 72.928 ± 0.005°
• β: 79.968 ± 0.005°
• γ: 69.699 ± 0.007°
• Cell volume: 823.68 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No