Information card for entry 7709581

Structure parameters

• Formula: C416.3 H662.05 Cl Mn6 Mo36 N86.22 Na16 O250.36
• Calculated formula: C308 H323.999 Cl Mn6 Mo36 N40 Na16 O191
• Title of publication: Chiral hexamers of organically modified polyoxometalates via ionic complexation
• Authors of publication: Guan, Weiming; Li, Bao; Wu, Lixin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 30.9645 ± 0.0015 Å
• b: 30.9645 ± 0.0015 Å
• c: 30.9645 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29689 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No