Information card for entry 4125968

Structure parameters

• Common name: nss051
• Chemical name: Th(SCH2SiMe3)(BIMA)3
• Formula: C28 H62 N6 S Si Th
• Calculated formula: C28 H62 N6 S Si Th
• SMILES: CC(C)N1C(C)=[N](C(C)C)[Th]231([N](C(C)C)=C(C)N2C(C)C)([N](C(C)C)=C(C)N3C(C)C)SC[Si](C)(C)C
• Title of publication: A Thorium Chalcogenolate Series Generated by Atom Insertion into Thorium-Carbon Bonds.
• Authors of publication: Settineri, Nicholas S.; Garner, Mary E.; Arnold, John
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 17
• Pages of publication: 6261 - 6269
• a: 10.868 ± 0.0008 Å
• b: 16.4185 ± 0.0013 Å
• c: 20.9253 ± 0.0017 Å
• α: 90°
• β: 103.045 ± 0.003°
• γ: 90°
• Cell volume: 3637.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0182
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No