Information card for entry 1519395

Structure parameters

• Formula: C37 H69 N3 S Si6 Th
• Calculated formula: C37 H69 N3 S Si6 Th
• SMILES: [Th](SC(c1ccccc1)(c1ccccc1)c1ccccc1)(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
• 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: 10.5938 ± 0.001 Å
• b: 11.5867 ± 0.0011 Å
• c: 19.595 ± 0.0019 Å
• α: 96.883 ± 0.002°
• β: 91.006 ± 0.002°
• γ: 96.27 ± 0.002°
• Cell volume: 2372.5 ± 0.4 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: 0.0518
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No