Information card for entry 7107450

Structure parameters

• Formula: C48 H108 Mo12 N3 O40 P Sb2
• Calculated formula: C32 H72 Mo12 N2 O40 P Sb2
• 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: 26.922 ± 0.01 Å
• b: 14.066 ± 0.004 Å
• c: 11.8345 ± 0.0011 Å
• α: 90°
• β: 96.447 ± 0.016°
• γ: 90°
• Cell volume: 4453 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No