Information card for entry 7718596

Structure parameters

• Formula: K9 Na16.5 Nb49 O192.5 Sc3
• Calculated formula: K9 Na16.5 Nb49 O192.5 Sc3
• Title of publication: A scandium-containing polyoxoniobate heptamer as a catalyst for the Knoevenagel condensation reaction.
• Authors of publication: Lin, Ya-Ting; Zeng, Li; Li, Yi-Ying; Sun, Yan-Qiong; Li, Xin-Xiong; Zheng, Shou-Tian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 8425 - 8429
• a: 18.6202 ± 0.0016 Å
• b: 19.6569 ± 0.0016 Å
• c: 38.958 ± 0.003 Å
• α: 95.906 ± 0.002°
• β: 102.223 ± 0.002°
• γ: 107.887 ± 0.001°
• Cell volume: 13044.4 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No