Information card for entry 1551964

Structure parameters

• Formula: C61 H116 As K N4 O10 Si3 U
• Calculated formula: C61 H116 As K N4 O10 Si3 U
• SMILES: C(C)(C)[Si](C(C)C)(C(C)C)N1[U]23(N(CC[N]3(CC1)CCN2[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)[AsH].c12ccccc2[O]2[K]3456789([O]%10CC[O]3CC[O]4CC[O]5CC[O]6c3ccccc%103)[O]1CC[O]9CC[O]8CC[O]7CC2
• 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: 16.2073 ± 0.0003 Å
• b: 19.3582 ± 0.0003 Å
• c: 24.0982 ± 0.0004 Å
• α: 90°
• β: 104.211 ± 0.0018°
• γ: 90°
• Cell volume: 7329.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No