Information card for entry 7023088

Structure parameters

• Formula: K2 O46 Si W12
• Calculated formula: K2 O46 Si W12
• SMILES: [K+].[K+].O=[W]1234O[W]567(O[W]89%10(O[W]%11%12%13([O]%148[Si]8%15[O]%16%17[W]%18%19(O[W]%16(O9)(O5)(=O)O[W]5%17(O[W]9%16(O[W]%17(O[W]%14(O%11)(=O)(O%10)O2)([O]89[W](O%12)(O%18)(=O)(O%16)O%17)(=O)O4)(=O)O[W](O5)(O1)([O]36%15)(=O)O7)(=O)O%19)(=O)O%13)=O)=O)=O.O.O.O.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: 19.1718 ± 0.0016 Å
• b: 19.1718 ± 0.0016 Å
• c: 12.584 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4005.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 181
• Hermann-Mauguin space group symbol: P 64 2 2
• Hall space group symbol: P 64 2 (0 0 2)
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No