Information card for entry 1548924

Structure parameters

• Chemical name: [Th(THF)(BIMA)3][(BPh4)(THF)]
• Formula: C56 H87 B N6 O2 Th
• Calculated formula: C56 H87 B N6 O2 Th
• SMILES: CC(C)N1C(C)=[N](C(C)C)[Th]231([O]1CCCC1)([N](C(C)C)=C(C)N2C(C)C)N(C(C)C)C(C)=[N]3C(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCO1
• Title of publication: Insertion, protonolysis and photolysis reactivity of a thorium monoalkyl amidinate complex.
• Authors of publication: Settineri, Nicholas S.; Arnold, John
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 2831 - 2841
• a: 18.6971 ± 0.0007 Å
• b: 15.8036 ± 0.0005 Å
• c: 18.9111 ± 0.0006 Å
• α: 90°
• β: 103.688 ± 0.002°
• γ: 90°
• Cell volume: 5429.2 ± 0.3 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: 0.0267
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No