Information card for entry 7107448

Structure parameters

• Formula: C54 H117 Co Mo12 N6 O40 P
• Calculated formula: C53.5 H116.5 Co Mo12 N6 O40 P
• Title of publication: Rational addition of capping groups to the phosphomolybdate Keggin anion [PMo₁₂O₄₀]^3- by mild, non-aqueous reductive aggregation
• Authors of publication: Ridla Bakri; Andrew Booth; Gavin Harle; Paul S. Middleton; Corinne Wills; William Clegg; Ross W. Harrington; R. John Errington
• Journal of publication: Chem. Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2779
• a: 17.975 ± 0.004 Å
• b: 22.382 ± 0.009 Å
• c: 44.296 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17821 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No