Information card for entry 1529207

Structure parameters

• Common name: U(NCS)(amid)3.toluene
• Formula: C43.5 H73 N7 S Si6 U
• Calculated formula: C43.5 H73 N7 S Si6 U
• SMILES: [U]123(N([Si](C)(C)C)C(=[N]1[Si](C)(C)C)c1ccccc1)(N=C=S)(N([Si](C)(C)C)C(=[N]2[Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)C(=[N]3[Si](C)(C)C)c1ccccc1.Cc1ccccc1
• Title of publication: Uranium and thorium complexes of the phosphaethynolate ion
• Authors of publication: Camp, Clément; Settineri, Nicholas; Lefèvre, Julia; Jupp, Andrew R.; Goicoechea, José M.; Maron, Laurent; Arnold, John
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6379
• a: 11.581 ± 0.0007 Å
• b: 11.6278 ± 0.0007 Å
• c: 21.115 ± 0.0013 Å
• α: 86.775 ± 0.002°
• β: 83.982 ± 0.002°
• γ: 75.259 ± 0.002°
• Cell volume: 2733.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No