Information card for entry 4116776

Structure parameters

• Formula: Bi2 H102 Mn2 N4 Na6 O113 W20
• Calculated formula: Bi2 Mn2 Na6 O117 W20
• Title of publication: Highly Efficient Catalysts in Directed Oxygen-Transfer Processes: Synthesis, Structures of Novel Manganese-Containing Heteropolyanions, and Applications in Regioselective Epoxidation of Dienes with Hydrogen Peroxide
• Authors of publication: Michael Bösing; Andreas Nöh; Ina Loose; Bernt Krebs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 7252 - 7259
• a: 12.85 ± 0.003 Å
• b: 25.1 ± 0.005 Å
• c: 16.02 ± 0.003 Å
• α: 90°
• β: 95.08 ± 0.03°
• γ: 90°
• Cell volume: 5146.7 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections: 0.2042
• Weighted residual factors for significantly intense reflections: 0.1594
• Goodness-of-fit parameter for all reflections: 1.072
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No