Information card for entry 1551965

Structure parameters

• Formula: C40.4 H82.5 As K2 N4 Si3 U
• Calculated formula: C37.5 H79.5 As K2 N4 Si3 U
• SMILES: [U]123([As])N([Si](C(C)C)(C(C)C)C(C)C)CC[N]3(CCN1[Si](C(C)C)(C(C)C)C(C)C)CCN2[Si](C(C)C)(C(C)C)C(C)C.[K+].[K+].c1ccccc1
• Title of publication: Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions
• Authors of publication: Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle
• Journal of publication: Nature Chemistry
• Year of publication: 2015
• Journal volume: 7
• Pages of publication: 582 - 590
• a: 17.84985 ± 0.00019 Å
• b: 34.2192 ± 0.0003 Å
• c: 32.8697 ± 0.0003 Å
• α: 90°
• β: 97.2734 ± 0.0009°
• γ: 90°
• Cell volume: 19915.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.3242
• Weighted residual factors for all reflections included in the refinement: 0.3264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No