Information card for entry 7707173

Structure parameters

• Formula: C18 H56 Cu12 O28 S12
• Calculated formula: C18 H56 Cu12 O28 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: 12.4249 ± 0.0007 Å
• b: 12.5351 ± 0.0009 Å
• c: 19.7599 ± 0.0009 Å
• α: 72.31 ± 0.005°
• β: 82.128 ± 0.004°
• γ: 60.367 ± 0.007°
• Cell volume: 2548.2 ± 0.3 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.042
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No