Information card for entry 4314787

Structure parameters

• Formula: C121 H245 N16 Si12 U4
• Calculated formula: C121 H244.988 N16 Si12 U4
• Title of publication: Experimental Evidence for Magnetic Exchange in Di- and Trinuclear Uranium(IV) Ethynylbenzene Complexes
• Authors of publication: Brian S. Newell; Anthony K. Rappé; Matthew P. Shores
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1595 - 1606
• a: 23.2529 ± 0.001 Å
• b: 18.4727 ± 0.0008 Å
• c: 19.1547 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8227.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.1054
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No