Information card for entry 4511891

Structure parameters

• Formula: C20 H104 K N10 Na5 O136 Se4 W36
• Calculated formula: C20 H80 K0.5 N10 Na O131 Se4 W36
• Title of publication: Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates
• Authors of publication: Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5099
• a: 14.1071 ± 0.0012 Å
• b: 15.4752 ± 0.0013 Å
• c: 21.2067 ± 0.0017 Å
• α: 107.471 ± 0.001°
• β: 97.631 ± 0.001°
• γ: 97.319 ± 0.001°
• Cell volume: 4307.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No