Information card for entry 7125579

Structure parameters

• Common name: Disodium Tetrakis(tetramethylammonium) hydrogen undecatungstophosphate octahydrate
• Formula: C16 H65 N4 Na2 O47 P W11
• Calculated formula: C16 H48 N4 Na2 O47 P W11
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.[N+](C)(C)(C)C.O=[W]123(=O)[O]4P56=O[W]789(=O)O[W]%10%11(=O)(O[W]4(=O)(=O)(O8)O3)[O]6[W]34(O[W]6(O[W]8(=O)(O3)O[W](=O)(=O)(O[W](=O)(=O)(O9)O6)O[W](=O)(O5)(O[W](=O)(O1)(O%10)O4)(O8)O2)(=O)O7)(=O)O%11.O.O.[Na+].[Na+].O.O.O.O.O.O
• Title of publication: Self-assembly of a lacunary alpha-Keggin undecatungstophosphate into a three-dimensional network linked by s-block cations.
• Authors of publication: Honma, Noritaka; Kusaka, Katsuhiro; Ozeki, Tomoji
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2896 - 2897
• a: 18.494 ± 0.001 Å
• b: 18.102 ± 0.001 Å
• c: 19.214 ± 0.001 Å
• α: 90°
• β: 106.206 ± 0.003°
• γ: 90°
• Cell volume: 6176.8 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.3282 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No