Information card for entry 7108731

Structure parameters

• Formula: C98 H252 N36 O42 P12 Si W12
• Calculated formula: C98 H244 N36 O42 P12 Si 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: 20.11 ± 0.003 Å
• b: 18.245 ± 0.003 Å
• c: 24.298 ± 0.004 Å
• α: 90°
• β: 108.202 ± 0.002°
• γ: 90°
• Cell volume: 8469 ± 2 ų
• Ambient diffraction temperature: 100 ± 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: 0.0985
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No