Information card for entry 7709580

Structure parameters

• Formula: C60 H84 Mn Mo6 N10 Na3 O36
• Calculated formula: C60 H84 Mn Mo6 N10 Na3 O36
• 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: 9.3899 ± 0.0009 Å
• b: 13.0933 ± 0.0013 Å
• c: 16.5155 ± 0.0016 Å
• α: 90.088 ± 0.004°
• β: 95.059 ± 0.004°
• γ: 99.731 ± 0.004°
• Cell volume: 1993.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No