Information card for entry 7130224

Structure parameters

• Formula: C6 H82 K3 Na21 O148 P Sb3 W28 Y3
• Calculated formula: C6 K3 Na5.1 O182.42 P Sb3 W28 Y3
• Title of publication: Trisubstituted 4f – and 4d Tungstoantimonates as artificial Phosphoesterases for Nerve Agent Degradation
• Authors of publication: Tanuhadi, Elias; Rompel, Annette
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 30.5911 ± 0.0006 Å
• b: 30.5911 ± 0.0006 Å
• c: 14.5883 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11822.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No