Information card for entry 4125967

Structure parameters

• Common name: nss048
• Chemical name: Th(OCH2NMe2)(BIMA)3
• Formula: C27 H59 N7 O Th
• Calculated formula: C27 H59 N7 O 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)OCN(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: 9.491 ± 0.0003 Å
• b: 10.5346 ± 0.0004 Å
• c: 17.7484 ± 0.0006 Å
• α: 84.9754 ± 0.0016°
• β: 75.7195 ± 0.0014°
• γ: 70.321 ± 0.0014°
• Cell volume: 1619.26 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No