Information card for entry 1548918

Structure parameters

• Chemical name: Th(ptolylN3CH2SiMe3)(BIMA)3
• Formula: C35 H69 N9 Si Th
• Calculated formula: C35 H69 N9 Si 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)N(C[Si](C)(C)C)[N]4=Nc1ccc(C)cc1
• 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: 16.9023 ± 0.0009 Å
• b: 11.4723 ± 0.0006 Å
• c: 21.7432 ± 0.0012 Å
• α: 90°
• β: 95.127 ± 0.003°
• γ: 90°
• Cell volume: 4199.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No