Information card for entry 7023087

Structure parameters

• Formula: K2 O46 Si W12
• Calculated formula: K2 O46 Si W12
• SMILES: [K+].O=[W]1234[O]56[W]78(O[W]9%10%11([O]%12%13[Si]%146[O]6%15[W]%16%17%18(O[W]%19%20([O]%21%14[W]%14(O[W]%226(O[W]%13(O%14)(O[W]%12(O4)(O[W]%15(O2)(O%22)(=O)O%16)(=O)O%11)(=O)O9)(=O)O%18)(O[W]%21(O7)(O%19)(=O)O%10)(=O)O%20)(O[W]5(O8)(=O)(O1)O%17)=O)=O)=O)(=O)O3.O.O.O.[K+].O.O.O
• Title of publication: Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.
• Authors of publication: Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8512 - 8518
• a: 19.107 ± 0.005 Å
• b: 19.107 ± 0.005 Å
• c: 12.6 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 3984 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No