Information card for entry 4349709

Structure parameters

• Formula: C8 H22 Cr Mo6 N3 O24
• Calculated formula: C8 H22 Cr Mo6 N3 O24
• SMILES: [Mo]123([O]45[Mo]67(O[Mo]84([O]49[Mo]%10([O]%11%12[Mo]%13(O[Mo]%14%11(=O)([O]%10CC(C[O]%14[Cr]45%10%12[O]6CC(C[O]1%13%10)([NH3+])C[O]37)([NH3+])C9)=O)(O2)(=O)=O)(=O)(O8)=O)(=O)=O)(=O)=O)(=O)=O.[NH4+]
• Title of publication: β-{Cr[RC(CH2O)3]2Mo6O18}3−: the first organically-functionalized β isomer of Anderson-type polyoxometalates
• Authors of publication: Zhang, Jiangwei; Huang, Yichao; Hao, Jian; Wei, Yongge
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1215
• a: 26.997 ± 0.003 Å
• b: 17.922 ± 0.002 Å
• c: 16.364 ± 0.002 Å
• α: 90°
• β: 109.86 ± 0.014°
• γ: 90°
• Cell volume: 7446.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No