Information card for entry 7248371

Structure parameters

• Formula: H29.7 Mo12 Na3.3 Ni0.58 O55.5 U
• Calculated formula: Mo12 Na3.3 Ni0.576 O55.5 U
• Title of publication: Highly-stable Silverton-type UIV-containing polyoxomolybdate frameworks for the heterogeneous catalytic synthesis of quinazolinones
• Authors of publication: Li, Ke; Liu, Yufeng; Yang, Guoping; Zheng, Zhijian; Lin, Xiaoling; Zhang, Zhibin; Li, Shujun; Liu, Yunhai; Wei, Yongge
• Journal of publication: Green Chemistry
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 6454 - 6460
• a: 25.9532 ± 0.0008 Å
• b: 25.9532 ± 0.0008 Å
• c: 25.9532 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17481.3 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No