Information card for entry 1548919

Structure parameters

• Chemical name: Th[(iPr)N(O2C2)(CH2SiMe3)C(Me)N(iPr)](BIMA)2]
• Formula: C30 H62 N6 O2 Si Th
• Calculated formula: C30 H62 N6 O2 Si Th
• SMILES: CC(C)[N]1=C(C)N(C(C)C)[Th]2341([N](C(C)C)=C(C)N2C(C)C)[N](=C(C)C(/C(=N/C(C)C)O4)(C[Si](C)(C)C)O3)C(C)C
• 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: 9.4981 ± 0.0019 Å
• b: 11.95 ± 0.002 Å
• c: 16.888 ± 0.003 Å
• α: 90.32 ± 0.03°
• β: 99.06 ± 0.03°
• γ: 102.29 ± 0.03°
• Cell volume: 1848 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0211
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No