Information card for entry 7107449

Structure parameters

• Formula: C50 H111 Mo12 N4 O42 P V2
• Calculated formula: C50 H111 Mo12 N4 O42 P V2
• 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: 23.8622 ± 0.0017 Å
• b: 14.474 ± 0.0017 Å
• c: 49.226 ± 0.004 Å
• α: 90°
• β: 95.462 ± 0.007°
• γ: 90°
• Cell volume: 16925 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1175
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.6393 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No