Information card for entry 4314788

Structure parameters

• Formula: C44 H75 Li N4 O Si3 U
• Calculated formula: C44 H75 Li N4 O Si3 U
• SMILES: [U]12345(N([Si](C)(C)C(C)(C)C)CC[N]3(CCN1[Si](C)(C)C(C)(C)C)CCN2[Si](C)(C)C(C)(C)C)[C]1#[C](c2ccccc2)[Li]251([O]1CCCC1)[C]4#[C]2c1ccccc1
• 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: 11.9798 ± 0.0003 Å
• b: 11.9963 ± 0.0003 Å
• c: 19.0221 ± 0.0005 Å
• α: 89.144 ± 0.002°
• β: 73.638 ± 0.001°
• γ: 71.699 ± 0.001°
• Cell volume: 2482.22 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No