Information card for entry 7006802

Structure parameters

• Formula: C H29 K6 N3 Na O50.5 Si W11
• Calculated formula: C H6 K6 N3 Na O50.46 Si W11
• SMILES: [K+].[K+].[K+].[W]123(=O)(=O)O[W]45([O]3[Si]36[O]78[W]9%10(=O)(=O)O[W]%117(=O)(O[W]78(=O)(O9)O[W]89%12(=O)O[W]%13(=O)(O[W]([O]38%13)(=O)(O9)(O5)O[W]35(=O)(O[W]8(O%10)(=O)(=O)O[W](O7)(=O)(O3)(O%12)[O]658)O4)(O2)O%11)O1)(=O)=O.[Na+].C(=[NH2+])(N)N.O.O.O.O.O.O.O.[K+].[K+].[K+].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: 19.457 ± 0.001 Å
• b: 22.581 ± 0.001 Å
• c: 11.069 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4863.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.3282 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No