Information card for entry 1548927

Structure parameters

• Chemical name: Th(PHMes)(BIMA)3
• Formula: C33 H63 N6 P Th
• Calculated formula: C33 H63 N6 P Th
• SMILES: CC(C)[N]1=C(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)Pc1c(C)cc(C)cc1C
• 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: 22.5782 ± 0.001 Å
• b: 13.2908 ± 0.0006 Å
• c: 25.4828 ± 0.0011 Å
• α: 90°
• β: 100.332 ± 0.002°
• γ: 90°
• Cell volume: 7522.9 ± 0.6 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: 0.036
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No