Information card for entry 7022650

Structure parameters

• Formula: C36 H84 Cu K4.88 Mo4 N12 Na1.13 O92 Si2 W20
• Calculated formula: C36 H84 Cu K4.5 Mo3.626 N12 Na1.5 O92 Si2 W20.374
• Title of publication: Multidimensional crystal frameworks based on heteropoly blue building block of [SiW10Mo(V)2O40]6-: synthesis, structures and magnetic properties.
• Authors of publication: Wang, Yuchao; Li, Fengyan; Xu, Lin; Jiang, Ning; Liu, Xizheng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5839 - 5847
• a: 12.535 Å
• b: 12.729 Å
• c: 21.473 Å
• α: 78.78°
• β: 75.26°
• γ: 61.18°
• Cell volume: 2892.55 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No