Information card for entry 1548925

Structure parameters

• Chemical name: (BIMA)3Th(μ-H)2[B(C8H14)]
• Formula: C32 H67 B N6 Th
• Calculated formula: C32 H67 B N6 Th
• SMILES: CC(C)[N]1=C(C)N(C(C)C)[Th]2341([N](=C(C)N2C(C)C)C(C)C)([N](C(C)C)=C(C)N3C(C)C)[H][B]1(C2CCCC1CCC2)[H]4
• 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: 12.1573 ± 0.0013 Å
• b: 18.4711 ± 0.0018 Å
• c: 16.3766 ± 0.0018 Å
• α: 90°
• β: 90.215 ± 0.005°
• γ: 90°
• Cell volume: 3677.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No