Information card for entry 1543104

Structure parameters

• Formula: C120 H204 N2 Na O6 Si8 U4
• Calculated formula: C120 H204 N2 Na O6 Si8 U4
• SMILES: [c]12([U]3456789%10%11%12([CH]%13=[CH]6[CH]7=[CH]8[C]9(=[CH]%10[CH]%11=[C]%12%13[Si](C)(C)C)[Si](C)(C)C)(=[N]=[U]6789%10%11%12%13%14%15%16([CH]%17=[CH]6[C]7(=[CH]8[CH]9=[CH]%10[CH]%11=[C]%12%17[Si](C)(C)C)[Si](C)(C)C)[c]6([c]%13([c]%14(C)[c]%15([c]%166C)C)C)C)[c]1([c]3([c]4([c]25C)C)C)C)C.[c]12([U]3456789%10%11%12([CH]%13=[CH]6[CH]7=[CH]8[C]9(=[CH]%10[CH]%11=[C]%12%13[Si](C)(C)C)[Si](C)(C)C)(=[N]=[U]6789%10%11%12%13%14%15%16([CH]%17=[CH]6[C]7(=[CH]8[CH]9=[CH]%10[CH]%11=[C]%12%17[Si](C)(C)C)[Si](C)(C)C)[c]6([c]%13([c]%14(C)[c]%15([c]%166C)C)C)C)[c]1([c]3([c]4([c]25C)C)C)C)C.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
• Authors of publication: Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4624
• a: 12.3696 ± 0.0004 Å
• b: 13.4214 ± 0.0005 Å
• c: 21.7314 ± 0.0006 Å
• α: 98.997 ± 0.003°
• β: 99.477 ± 0.002°
• γ: 109.711 ± 0.003°
• Cell volume: 3261.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No