Information card for entry 1519397

Structure parameters

• Formula: C30 H78 K N3 O6 S Si6 Th
• Calculated formula: C30 H78 K N3 O6 S Si6 Th
• SMILES: [Th](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=[S][K]12345[O]6CC[O]5CC[O]3CC[O]2CC[O]1CC[O]4CC6
• Title of publication: Thorium‒ligand multiple bonds via reductive deprotection of a trityl group
• Authors of publication: Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 3891
• a: 12.7484 ± 0.0016 Å
• b: 18.891 ± 0.002 Å
• c: 21.817 ± 0.003 Å
• α: 91.554 ± 0.002°
• β: 105.863 ± 0.002°
• γ: 92.564 ± 0.002°
• Cell volume: 5044.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No