Information card for entry 4303850

Structure parameters

• Formula: Cu20 H148 I K12 Li13 O270 P8 W48
• Calculated formula: Cu20 I K12 O225.2 P8 W48
• Title of publication: Wheel-Shaped Cu20-Tungstophosphate [Cu20X(OH)24(H2O)12(P8W48O184)]25- Ion (X = Cl, Br, I) and the Role of the Halide Guest
• Authors of publication: Sib Sankar Mal; Bassem S. Bassil; Masooma Ibrahim; Saritha Nellutla; Johan van Tol; Naresh S. Dalal; Jorge A. Fernández; Xavier López; Josep M. Poblet; Rosa Ngo Biboum; Bineta Keita; Ulrich Kortz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11636 - 11645
• a: 26.9335 ± 0.0003 Å
• b: 26.9335 ± 0.0003 Å
• c: 21.0993 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15305.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2013
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No