Information card for entry 7706423

Structure parameters

• Formula: C21 H53 N3 Na O79 Si Tb3 W12
• Calculated formula: C21 H53.0004 N3 Na O79.0003 Si Tb3 W12
• Title of publication: Supramolecular network of a framework material supported by the anion-π linkage of Keggin-type heteropolyoxotungstates: experimental and theoretical insights.
• Authors of publication: Samaniyan, Maryam; Mirzaei, Masoud; Gomila, Rosa M.; Eshtiagh-Hosseini, Hossein; Lotfian, Nahid; Mague, Joel T.; Pour, Ali Nakhaei; Frontera, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 1895 - 1900
• a: 18.08 ± 0.002 Å
• b: 18.08 ± 0.002 Å
• c: 20.905 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5918 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No