Information card for entry 7214694

Structure parameters

• Formula: C144 H108 Al Br4 Cu9 N24 O46 W12
• Calculated formula: C144 H96 Al Br4 Cu9 N24 O46 W12
• Title of publication: New compounds based on polyoxometalates and metal halide clusters
• Authors of publication: Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Xu, Jia-Ning; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8589
• a: 15.2519 ± 0.0015 Å
• b: 16.1068 ± 0.0016 Å
• c: 18.1966 ± 0.0018 Å
• α: 74.531 ± 0.001°
• β: 74.733 ± 0.001°
• γ: 66.33 ± 0.001°
• Cell volume: 3883.5 ± 0.7 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: 0.1166
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No