Information card for entry 4116581

Structure parameters

• Formula: C8 H26 F12 N4 O U2
• Calculated formula: C8 H24 F12 N4 O U2
• Title of publication: From Molecules to Frameworks: Variable Dimensionality in the UO2(CH3COO)2.2H2O/HF(aq)/Piperazine System. Syntheses, Structures, and Characterization of Zero-Dimensional (C4N2H12)UO2F4.3H2O, One-Dimensional (C4N2H12)2U2F12.H2O, Two-Dimensional (C4N2H12)2(U2O4F5)4.11H2O, and Three-Dimensional (C4N2H12)U2O4F6
• Authors of publication: Susan M. Walker; P. Shiv Halasyamani; Simon Allen; Dermot O'Hare
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 10513 - 10521
• a: 13.017 ± 0.001 Å
• b: 12.379 ± 0.001 Å
• c: 6.651 ± 0.001 Å
• α: 90°
• β: 107.68 ± 0.01°
• γ: 90°
• Cell volume: 1021.1 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No