Information card for entry 7035858

Structure parameters

• Formula: C36 H31 Cu2.5 Mo12 N7 O43.5 Si
• Calculated formula: C36 H30 Cu2.5 Mo12 N7 O43.5 Si
• Title of publication: Tuning the structures based on polyoxometalates from 1-D to 2-D by using different secondary organic ligands.
• Authors of publication: Hu, Yang-Yang; Xiao-Zhang, ?; Zhao, De-Chuan; Guo, Hai-Yang; Fu, Li-Wei; Guo, Lan-Lan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 33
• Pages of publication: 14830 - 14841
• a: 13.8585 ± 0.0007 Å
• b: 21.4521 ± 0.0011 Å
• c: 21.8852 ± 0.0012 Å
• α: 90°
• β: 100.301 ± 0.001°
• γ: 90°
• Cell volume: 6401.5 ± 0.6 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: 0.0929
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No