Information card for entry 1508184

Structure parameters

• Formula: C69 H82 N8 O4 Si2 U2
• Calculated formula: C69 H82 N8 O4 Si2 U2
• SMILES: C1c2ccc3C(C)(C)c4ccc5C=[N]6c7cc(C)c(C)cc7[N]7=Cc8ccc9C(C)(C)c%10ccc%11C=[N]%12c%13cc(C)c(C)cc%13[N]=1[U]1%136(n23)(n45)(O[Si](C)(C)C)O[U]7%12%13(n%10%11)(n89)(O1)O[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1.c1ccc(cc1)C
• Title of publication: Strongly coupled binuclear uranium-oxo complexes from uranyl oxo rearrangement and reductive silylation.
• Authors of publication: Arnold, Polly L.; Jones, Guy M.; Odoh, Samuel O.; Schreckenbach, Georg; Magnani, Nicola; Love, Jason B.
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 221 - 227
• a: 16.2362 ± 0.0015 Å
• b: 18.1288 ± 0.0015 Å
• c: 26.4879 ± 0.0019 Å
• α: 90°
• β: 101.144 ± 0.009°
• γ: 90°
• Cell volume: 7649.5 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 0.784
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No