Information card for entry 4505490

Structure parameters

• Formula: C28 H161 Cu5 Er2 K N28 O173 Si4 W44
• Calculated formula: C28 H112 Cu5 Er2 K N28 O173 Si4 W44
• 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: 17.5312 ± 0.0016 Å
• b: 24.212 ± 0.002 Å
• c: 24.75 ± 0.002 Å
• α: 90°
• β: 103.919 ± 0.002°
• γ: 90°
• Cell volume: 10197 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No