Information card for entry 7014058

Structure parameters

• Formula: C60 H50 O4.43 P Si2 V
• Calculated formula: C60 H50 O4.4291 P Si2 V
• Title of publication: Mixed crystals containing the dioxo complex [[Ph3SiO]2VO2]- and novel pentacoordinated oxoperoxo complex [[Ph3SiO]2VO(O2)]-: X-ray crystal structure and assessment as oxidation catalysts.
• Authors of publication: Vennat, Maxence; Bregeault, Jean-Marie; Herson, Patrick
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 908 - 913
• a: 22.362 ± 0.008 Å
• b: 11.27 ± 0.006 Å
• c: 23.069 ± 0.006 Å
• α: 90°
• β: 119 ± 0.02°
• γ: 90°
• Cell volume: 5085 ± 4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Ambient diffracton pressure: 1 kPa
• 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: 0.0941
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No