Information card for entry 1551966

Structure parameters

• Formula: C52.5 H115.5 As K N6 O6 Si3 U
• Calculated formula: C51 H112 As K N6 O6 Si3 U
• SMILES: C(C)(C)[Si](C(C)C)(N1[U]23(N(CC[N]2(CC1)CCN3[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)[AsH])C(C)C.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9
• 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: 15.3188 ± 0.0003 Å
• b: 18.8965 ± 0.0004 Å
• c: 24.8556 ± 0.0003 Å
• α: 88.3008 ± 0.0013°
• β: 89.3347 ± 0.0014°
• γ: 68.8052 ± 0.0019°
• Cell volume: 6705.3 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No