Information card for entry 4081052

Structure parameters

• Formula: C162 H198 N2 O6 Si6 U2
• Calculated formula: C162 H198 N2 O6 Si6 U2
• SMILES: c1(c(C)cc(cc1C)C)[Si](O[U]1([N]2#[N]1[U]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(C)cc(cc1C)C)c1c(cc(cc1C)C)C)O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)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: 16.9787 ± 0.0004 Å
• b: 17.1215 ± 0.0004 Å
• c: 17.9145 ± 0.0004 Å
• α: 109.763 ± 0.002°
• β: 92.606 ± 0.002°
• γ: 118.253 ± 0.002°
• Cell volume: 4182.4 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No