Information card for entry 4337652

Structure parameters

• Formula: C84 H106 Cu8 N16 O96 P2 W22
• Calculated formula: C84 H74 Cu8 N16 O96 P2 W22
• Title of publication: A Novel Dumbbell-like Polyoxometalate Assembled of Copper(II)-Disubstituted Monovacant Keggin Polyoxoanions with a Tetranuclear Copper Cluster.
• Authors of publication: Miao, Hao; Xu, Xiao; Ju, Wei-Wei; Wan, Hong-Xiang; Zhang, Yu; Zhu, Dun-Ru; Xu, Yan
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 2757 - 2759
• a: 12.585 ± 0.003 Å
• b: 13.22 ± 0.003 Å
• c: 24.903 ± 0.006 Å
• α: 75.42 ± 0.003°
• β: 77.176 ± 0.003°
• γ: 73.647 ± 0.003°
• Cell volume: 3796.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No