Information card for entry 7011547

Structure parameters

• Formula: C20 H68 Ba2 Mo12 O54 S10 Si
• Calculated formula: C20 H60 Ba2 Mo12 O54 S10 Si
• Title of publication: 1D and 2D polyoxometalate-based composite compounds. Synthesis and crystal structure of [{Ba(DMSO)5(H2O)}2(SiMo12O40)] and [{Ba(DMSO)3(H2O)3}{Ba(DMSO)5(H2O)}(GeMo12O40)]
• Authors of publication: Niu, Jing-yang; Wu, Qiang; Wang, Jing-ping
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2512
• a: 14.279 ± 0.003 Å
• b: 14.805 ± 0.003 Å
• c: 18.778 ± 0.004 Å
• α: 90°
• β: 92.12 ± 0.03°
• γ: 90°
• Cell volume: 3967 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No