Information card for entry 7108732

Structure parameters

• Formula: C42 H123 N18 O46 P7 W12
• Calculated formula: C42 H99 N18 O46 P7 W12
• Title of publication: Novel polyoxometalate-phosphazene aggregates and their use as catalysts for biphasic oxidations with hydrogen peroxide
• Authors of publication: Michael Craven; Rana Yahya; Elena Kozhevnikova; Ramamoorthy Boomishankar; Craig M. Robertson; Alexander Steiner; Ivan Kozhevnikov
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 349
• a: 14.6216 ± 0.0012 Å
• b: 23.3093 ± 0.0019 Å
• c: 15.2198 ± 0.0012 Å
• α: 90°
• β: 107.725 ± 0.002°
• γ: 90°
• Cell volume: 4941 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0897
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No