Information card for entry 4505494

Structure parameters

• Formula: C16 H85 Cu3 N16 O85 Pr Si2 W22
• Calculated formula: C16 H68 Cu3 N16 O85 Pr Si2 W22
• Title of publication: Organic‒Inorganic Hybrids Based on Monovacant Keggin-type Silicotungstates and 3d-4f Heterometals
• Authors of publication: Zhang, Shaowei; Zhao, Junwei; Ma, Pengtao; Chen, Huanni; Niu, Jingyang; Wang, Jingping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1263
• a: 21.816 ± 0.012 Å
• b: 11.667 ± 0.007 Å
• c: 39.2 ± 0.02 Å
• α: 90°
• β: 101.698 ± 0.01°
• γ: 90°
• Cell volume: 9770 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No