Information card for entry 4118067

Structure parameters

• Formula: C38 H44 N2 P2 Si2
• Calculated formula: C38 H44 N2 P2 Si2
• SMILES: C(=C\c1ccccc1)(/P(c1ccccc1)(c1ccccc1)=N[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=N[Si](C)(C)C
• Title of publication: Synthesis of a Uranium(VI)-Carbene: Reductive Formation of Uranyl(V)-Methanides, Oxidative Preparation of a [R2C=U=O]2+ Analogue of the [O=U=O]2+ Uranyl Ion (R = Ph2PNSiMe3), and Comparison of the Nature of UIV=C, UV=C, and UVI=C Double Bonds
• Authors of publication: David P. Mills; Oliver J. Cooper; Floriana Tuna; Eric J. L. McInnes; E. Stephen Davies; Jonathan McMaster; Fabrizio Moro; William Lewis; Alexander J. Blake; Stephen T. Liddle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10047 - 10054
• a: 9.8882 ± 0.0002 Å
• b: 11.5087 ± 0.0003 Å
• c: 16.2479 ± 0.0004 Å
• α: 88.2809 ± 0.0018°
• β: 83.0033 ± 0.0019°
• γ: 79.295 ± 0.002°
• Cell volume: 1803.26 ± 0.08 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No