Information card for entry 7209063

Structure parameters

• Formula: C50 H48 Br2 N10 Ni2 O43 Si W12
• Calculated formula: C50 H40 Br2 N10 Ni2 O43 Si W12
• Title of publication: The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units
• Authors of publication: Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 285
• a: 13.2049 ± 0.0009 Å
• b: 14.9418 ± 0.0007 Å
• c: 20.5766 ± 0.0012 Å
• α: 90°
• β: 104.651 ± 0.004°
• γ: 90°
• Cell volume: 3927.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No