Information card for entry 2229269

Structure parameters

• Chemical name: Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate
• Formula: C24 H60 N20 O50 Si W12
• Calculated formula: C24 H60 N20 O50 Si W12
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89(O1)(=O)O[W]1%10%11(O[W]%12%13(O6)(O[W]6%14(O5)(O[W]5%15(O2)(=O)O[W]2%16(O3)(O[W]3(O8)(O1)(=O)O[W]18(O2)(O[W]2(O5)(O6)(=O)O[W](O%12)(O%10)(=O)(O1)[O]%11%13[Si]([O]479)([O]%14%152)[O]%1638)=O)=O)=O)=O)=O.O1CC[NH+](Cc2nn[nH]n2)CC1.O1CC[NH+](Cc2nn[nH]n2)CC1.O1CC[NH+](Cc2nn[nH]n2)CC1.O1CC[NH+](Cc2nn[nH]n2)CC1.O.O.O.O.O.O
• Title of publication: Tetrakis{4-[(2<i>H</i>-tetrazol-5-yl)methyl]morpholin-4-ium} dodecatungstosilicate hexahydrate
• Authors of publication: Yousefi, Mohammad; Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Gholizadeh, Ahmad; Nikpour, Mohsen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m271 - m272
• a: 12.4512 ± 0.0005 Å
• b: 13.1805 ± 0.0005 Å
• c: 13.4065 ± 0.0006 Å
• α: 93.856 ± 0.001°
• β: 116.331 ± 0.001°
• γ: 116.45 ± 0.001°
• Cell volume: 1666.58 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes