Information card for entry 4125969

Structure parameters

• Common name: nss053
• Chemical name: Th(SSCH2SiMe3)(BIMA)3
• Formula: C28 H62 N6 S2 Si Th
• Calculated formula: C28 H62 N6 S2 Si Th
• SMILES: CC(C)[N]1=C(C)N(C(C)C)[Th]2341([N](C(C)C)=C(C)N4C(C)C)([N](C(C)C)=C(C)N2C(C)C)S[S]3C[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: 11.3345 ± 0.001 Å
• b: 18.1535 ± 0.0017 Å
• c: 18.6885 ± 0.0017 Å
• α: 90°
• β: 101.817 ± 0.004°
• γ: 90°
• Cell volume: 3763.9 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No