Information card for entry 7030078

Structure parameters

• Formula: B3 Na20 Ni12 O167 P Si3 W27
• Calculated formula: B3 Na19.13 Ni12 O154.5 P Si3 W27
• Title of publication: Borate-templated self-assembly of multinuclear nickel(II)-containing POMs.
• Authors of publication: Li, Shujun; Liu, Shuxia; Tang, Qun; Liu, Yiwei; He, Danfeng; Wang, Shengtian; Shi, Zhan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13319 - 13322
• a: 20.919 ± 0.002 Å
• b: 22.998 ± 0.003 Å
• c: 23.393 ± 0.003 Å
• α: 70.983 ± 0.002°
• β: 87.26 ± 0.002°
• γ: 63.067 ± 0.002°
• Cell volume: 9419 ± 2 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: 0.1962
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No