Information card for entry 1519394

Structure parameters

• Formula: C53 H73 N2 O2 Si4 Th
• Calculated formula: C53 H73 N2 O2 Si4 Th
• 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: 12.955 ± 0.002 Å
• b: 13.0253 ± 0.0019 Å
• c: 16.867 ± 0.002 Å
• α: 85.654 ± 0.003°
• β: 77.178 ± 0.003°
• γ: 79.336 ± 0.003°
• Cell volume: 2725.5 ± 0.7 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: 0.0452
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No