Information card for entry 7109396

Structure parameters

• Formula: C45 H55 Mo13 N9 O38
• Calculated formula: C45 H44.5 Mo13 N9 O38
• Title of publication: An unprecedented [MoIV3O4]-incorporated polyoxometalate concomitant with MoO2 nucleophilic addition
• Authors of publication: Wei-Peng Chen; Rui-Li Sang; Yi Wang; Li Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5883
• a: 42.98 ± 0.005 Å
• b: 17.0154 ± 0.0012 Å
• c: 23.447 ± 0.003 Å
• α: 90°
• β: 109.853 ± 0.007°
• γ: 90°
• Cell volume: 16128 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.396
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No