Information card for entry 7707172

Structure parameters

• Formula: C12 H30 Cu12 O21 S12
• Calculated formula: C12 H30 Cu12 O21 S12
• Title of publication: Two 6/10-connected Cu₁₂S₆ cluster-based organic frameworks: crystal structure and proton conduction.
• Authors of publication: Li, Jia-Ming; Xu, Tian-Yang; Zhao, Ya-Li; Hu, Xing-Liang; He, Kun-Huan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 7484 - 7495
• a: 11.8921 ± 0.0004 Å
• b: 17.7132 ± 0.0006 Å
• c: 18.9516 ± 0.0007 Å
• α: 90°
• β: 96.951 ± 0.003°
• γ: 90°
• Cell volume: 3962.8 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No