Information card for entry 1548029

Structure parameters

• Formula: C80 H167 N8 P Si6 Th2
• Calculated formula: C80 H167 N8 P Si6 Th2
• SMILES: [Th]123(P[Th]456N([Si](C(C)C)(C(C)C)C(C)C)CC[N]6(CCN4[Si](C(C)C)(C(C)C)C(C)C)CCN5[Si](C(C)C)(C(C)C)C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)CC[N]3(CCN1[Si](C(C)C)(C(C)C)C(C)C)CCN2[Si](C(C)C)(C(C)C)C(C)C.Cc1ccccc1.Cc1ccccc1
• 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: 13.8618 ± 0.0004 Å
• b: 15.2608 ± 0.0005 Å
• c: 22.2411 ± 0.0006 Å
• α: 96.043 ± 0.002°
• β: 91.075 ± 0.002°
• γ: 98.324 ± 0.002°
• Cell volume: 4626.7 ± 0.2 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: 0.0732
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No