Information card for entry 7206939

Structure parameters

• Formula: C96 H72 B Cu5 N16 O44 W12
• Calculated formula: C96 H64 B Cu5 N16 O44 W12
• Title of publication: New compounds constructed from polyoxometalates and transition metal coordination complexes with lower positive charge
• Authors of publication: Wang, Yan; Peng, Yu; Xiao, Li-Na; Hu, Yang-Yang; Wang, La-Mei; Gao, Zhong-Min; Wang, Tie-Gang; Wu, Feng-Qing; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1049
• a: 12.506 ± 0.003 Å
• b: 14.025 ± 0.003 Å
• c: 31.972 ± 0.006 Å
• α: 78.45 ± 0.03°
• β: 82.58 ± 0.03°
• γ: 87.87 ± 0.03°
• Cell volume: 5448 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No