Information card for entry 7039911

Structure parameters

• Formula: C30 H37 Mo11 N6 O40 P Zn
• Calculated formula: C30 H30 Mo11 N6 O40 P Zn
• Title of publication: Design, synthesis and excellent third-order NLO properties of two new polyoxometalates constructed from Keggin polyanions bonded by a solvent molecule.
• Authors of publication: Miao, Hao; Dong, Yayu; Chen, Ziwang; He, Xingxiang; Hu, Gonghao; Xu, Yan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 12717 - 12722
• a: 12.964 ± 0.002 Å
• b: 25.188 ± 0.005 Å
• c: 19.282 ± 0.003 Å
• α: 90°
• β: 93.209 ± 0.002°
• γ: 90°
• Cell volume: 6286.4 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No