Information card for entry 7006801

Structure parameters

• Formula: C10 H64 N21 Na O48 Si W11
• Calculated formula: C10 H48 N21 Na O48 Si W11
• SMILES: [W]123(=O)(=O)O[W]45(=O)(=O)O[W]678(=O)O[W]9%10(=O)(O[W]%11%12(=O)(O6)O[W]6%13%14(=O)O[W]%15%16(=O)(=O)O[W](=O)(O6)(O1)(O9)[O]%14%16[Si]([O]35)([O]8%10%12)[O]13[W]5(=O)(O[W]1(=O)(=O)(O[W]3(=O)(O5)(O%11)O%13)O%15)(O4)O7)O2.[Na+].C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N.CC(=O)C.O.O.O.O.O.O.O.O
• Title of publication: Cation-controlled assembly of Na±linked lacunary alpha-Keggin tungstosilicates.
• Authors of publication: Chiba, Hirokazu; Wada, Akihide; Ozeki, Tomoji
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1213 - 1217
• a: 12.098 ± 0.001 Å
• b: 22.786 ± 0.001 Å
• c: 11.955 ± 0.001 Å
• α: 90°
• β: 113.68 ± 0.001°
• γ: 90°
• Cell volume: 3018.1 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.3282 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No