Information card for entry 7032869

Structure parameters

• Formula: C216 H240 N96 O140 S8 Zn8
• Calculated formula: C216 H240 N96 O140 S8 Zn8
• Title of publication: Encapsulation of [(SO4)4(H2O)12](8-) clusters in a metal organic framework of pyridyl functionalized cyanuric acid based tris-urea.
• Authors of publication: Dutta, Ranjan; Akhuli, Bidyut; Ghosh, Pradyut
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15075 - 15078
• a: 26.799 ± 0.003 Å
• b: 26.799 ± 0.003 Å
• c: 15.7884 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9819.9 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.2638
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No