Information card for entry 1548028

Structure parameters

• Formula: C56 H116 N4 Na O8 P Si3 Th
• Calculated formula: C56 H116 N4 Na O8 P Si3 Th
• SMILES: [Th]123(=P)N([Si](C(C)C)(C(C)C)C(C)C)CC[N]1(CCN2[Si](C(C)C)(C(C)C)C(C)C)CCN3[Si](C(C)C)(C(C)C)C(C)C.[Na]123456([O]7CC[O]5CC[O]4CC[O]2CC7)[O]2CC[O]6CC[O]1CC[O]3CC2.c1ccccc1C
• Title of publication: Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions
• Authors of publication: Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 12884
• a: 13.5631 ± 0.0005 Å
• b: 21.2452 ± 0.0007 Å
• c: 23.4879 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6768.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No