Information card for entry 8102649

Structure parameters

• Formula: C108 H90 N36 O258 P6 W72
• Calculated formula: C54 N18 O249 P6 W72
• Title of publication: Crystal structure of tri(2-acetylpyrazinium) dodecatungstophosphate, [C6H8N2O]3[PW12O40]
• Authors of publication: Hai-Xing Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 243
• a: 18.3023 ± 0.0016 Å
• b: 18.3023 ± 0.0016 Å
• c: 24.937 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7234.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No