Information card for entry 4125965

Structure parameters

• Common name: nss017
• Chemical name: ThCl(BIMA)3
• Formula: C24 H51 Cl N6 Th
• Calculated formula: C24 H51 Cl N6 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)Cl
• 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: 17.458 ± 0.003 Å
• b: 10.2043 ± 0.0019 Å
• c: 34.253 ± 0.006 Å
• α: 90 ± 0.01°
• β: 80.248 ± 0.009°
• γ: 90 ± 0.009°
• Cell volume: 6013.9 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No