Information card for entry 7214696

Structure parameters

• Formula: C144 H102 B Cu8 I3 N24 O43 W12
• Calculated formula: C144 H96 B Cu8 I3 N24 O43 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: 15.621 ± 0.004 Å
• b: 17.01 ± 0.004 Å
• c: 18.068 ± 0.005 Å
• α: 63.185 ± 0.004°
• β: 67.472 ± 0.004°
• γ: 76.774 ± 0.004°
• Cell volume: 3948.6 ± 1.8 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: 0.1988
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1929
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No