Information card for entry 1551963

Structure parameters

• Formula: C33 H77 As N4 Si3 U
• Calculated formula: C33 H77 As N4 Si3 U
• SMILES: CC([Si](N1[U]23(N(CC[N]3(CCN2[Si](C(C)C)(C(C)C)C(C)C)CC1)[Si](C(C)C)(C(C)C)C(C)C)[AsH2])(C(C)C)C(C)C)C
• 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: 16.04632 ± 0.00014 Å
• b: 12.55844 ± 0.00013 Å
• c: 20.9096 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4213.63 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.2533
• Weighted residual factors for all reflections included in the refinement: 0.2537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No