Information card for entry 1548030

Structure parameters

• Formula: C84 H187 N8 Na O9 P Si6 Th2
• Calculated formula: C84 H187 N8 Na O9 P Si6 Th2
• SMILES: C(C)(C)[Si](C(C)C)(C(C)C)N1CC[N]23CCN([Si](C(C)C)(C(C)C)C(C)C)[Th]12(N([Si](C(C)C)(C(C)C)C(C)C)CC3)=[P]=[Th]123N(CC[N]3(CCN2[Si](C(C)C)(C(C)C)C(C)C)CCN1[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.O(C)CCOC.[Na]123456([O]7CC[O]1CC[O]2CC[O]3CC7)[O]1CC[O]4CC[O]5CC[O]6CC1
• 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: 23.1479 ± 0.0007 Å
• b: 17.4133 ± 0.0005 Å
• c: 26.4947 ± 0.0009 Å
• α: 90°
• β: 103.615 ± 0.004°
• γ: 90°
• Cell volume: 10379.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No