Information card for entry 4118064

Structure parameters

• Formula: C83 H102 Cl N4 O4 P4 Si4 U2
• Calculated formula: C83 H102 Cl N4 O4 P4 Si4 U2
• SMILES: [U]123(=O)(=O)(O[U]45([Cl]1)(=O)C(P(c1ccccc1)(c1ccccc1)=[N]4[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]5[Si](C)(C)C)C(P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]3[Si](C)(C)C.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 12.2398 ± 0.0004 Å
• b: 17.5642 ± 0.0004 Å
• c: 21.2961 ± 0.0006 Å
• α: 90.983 ± 0.002°
• β: 101.845 ± 0.003°
• γ: 108.449 ± 0.002°
• Cell volume: 4233.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No