Information card for entry 1508032

Structure parameters

• Formula: C24 N3 O40 P V2 W10
• Calculated formula: C24 N3 O40 P V2 W10
• SMILES: [W]1234(O[W]567(O[W]89%10(O[W]%11(O6)(O[W](O2)(O5)(=O)O[W]25(O[W]6%12(O1)([O]3P1(=[O]7)[O]%10[W]3(O[V]7(O[V](O7)(O4)(O6)=O)(O8)=O)(O[W](O%12)(O[W](O%11)(O3)(O5)=O)(O2)(O1)=O)(O9)=O)=O)=O)=O)=O)=O)=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Efficient stereo- and regioselective hydroxylation of alkanes catalysed by a bulky polyoxometalate.
• Authors of publication: Kamata, Keigo; Yonehara, Kazuhiro; Nakagawa, Yoshinao; Uehara, Kazuhiro; Mizuno, Noritaka
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 478 - 483
• a: 15.5486 ± 0.0002 Å
• b: 21.1547 ± 0.0002 Å
• c: 23.1083 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7600.92 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No