Information card for entry 1529205

Structure parameters

• Common name: [U(NCO)L3]
• Formula: C40 H69 N7 O Si6 U
• Calculated formula: C40 H69 N7 O Si6 U
• SMILES: C(=N[U]123(N(C(=[N]1[Si](C)(C)C)c1ccccc1)[Si](C)(C)C)([N]([Si](C)(C)C)=C(N2[Si](C)(C)C)c1ccccc1)[N](=C(N3[Si](C)(C)C)c1ccccc1)[Si](C)(C)C)=O
• 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: 15.5201 ± 0.0007 Å
• b: 17.9868 ± 0.0008 Å
• c: 37.3806 ± 0.0017 Å
• α: 90°
• β: 97.783 ± 0.002°
• γ: 90°
• Cell volume: 10338.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.319
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No