Information card for entry 7024026

Structure parameters

• Formula: C24 H68 Mo12 N8 O52 Si
• Calculated formula: C24 H44 Mo12 N8 O40 Si
• SMILES: [Mo]1234(O[Mo]567(O[Mo]89%10([O]%11%12[Mo]%13%14(O[Mo]%15%16%17([O]%18%19[Mo]%20(O[Mo]%21%22%23([O]%24([Mo](=O)(O%13)(O%16)(O[Mo]%24(=O)(O%10)(O7)O%22)O%23)[Si]%12%19[O]15[Mo](O%21)(O2)(O6)(O%20)=O)=O)(O[Mo]%18(=O)(O%15)(O4)O[Mo]%11(=O)(O3)(O9)O%14)(=O)O%17)=O)(O8)=O)=O)=O)=O.n1(c[n+](cc1)C)CC.n1(c[n+](C)cc1)CC.n1(c[n+](cc1)CC)C.n1(c[n+](C)cc1)CC
• Title of publication: Preparation of polyoxometalates in ionic liquids by ionothermal synthesis.
• Authors of publication: Lin, Shiwei; Liu, Wenli; Li, Yangguang; Wu, Qiong; Wang, Enbo; Zhang, Zhiming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1740 - 1744
• a: 15.056 ± 0.003 Å
• b: 16.167 ± 0.003 Å
• c: 26.572 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6468 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No