Information card for entry 4314791

Structure parameters

• Formula: C71 H146 N8 O2 Si6 U2
• Calculated formula: C71 H146 N8 O2 Si6 U2
• SMILES: [U]123([N](CCN1[Si](C)(C)C(C)(C)C)(CCN2[Si](C)(C)C(C)(C)C)CCN3[Si](C)(C)C(C)(C)C)(C#Cc1ccc(cc1)C#C[U]123([N](CCN1[Si](C)(C)C(C)(C)C)(CCN2[Si](C)(C)C(C)(C)C)CCN3[Si](C)(C)C(C)(C)C)[O]1CCCC1)[O]1CCCC1.CCCCC
• 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: 16.6239 ± 0.0005 Å
• b: 16.8054 ± 0.0004 Å
• c: 17.448 ± 0.0004 Å
• α: 75.127 ± 0.002°
• β: 78.361 ± 0.002°
• γ: 67.296 ± 0.002°
• Cell volume: 4317.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No