Information card for entry 1543105

Structure parameters

• Formula: C55 H95 K O7 Si2 U
• Calculated formula: C55 H95 K O7 Si2 U
• SMILES: [U]123456789%10%11([CH]%12=[CH]6[CH]7=[C]8([CH]9=[CH]3[C]2(=[CH]1%12)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)([c]1([c]%10(C)[c]%11([c]5(C)[c]41C)C)C)=[O][K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]5CC[O]4CC6.Cc1ccccc1
• 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: 11.1168 ± 0.0004 Å
• b: 19.7384 ± 0.0006 Å
• c: 13.01 ± 0.0005 Å
• α: 90°
• β: 90.901 ± 0.003°
• γ: 90°
• Cell volume: 2854.4 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No