Information card for entry 4081054

Structure parameters

• Formula: C162 H198 N2 O6 Si6 U2
• Calculated formula: C162 H198 N2 O6 Si6 U2
• SMILES: [U]1([N]2[U]([N]1#2)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands
• Authors of publication: Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4214
• a: 29.2851 ± 0.0019 Å
• b: 17.6856 ± 0.001 Å
• c: 29.4728 ± 0.0017 Å
• α: 90°
• β: 95.943 ± 0.006°
• γ: 90°
• Cell volume: 15182.6 ± 1.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3565
• Residual factor for significantly intense reflections: 0.2573
• Weighted residual factors for significantly intense reflections: 0.5214
• Weighted residual factors for all reflections included in the refinement: 0.5687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No