Information card for entry 4080343

Structure parameters

• Formula: C41 H60 Br2 N2 Th
• Calculated formula: C41 H60 Br2 N2 Th
• SMILES: [Th]1234567(Br)(Br)([N](c8c(cccc8C(C)C)C(C)C)=C(C(C)(C)C)[CH]6=[C]7(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)[c]1([cH]2[cH]3[cH]4[cH]51)C
• Title of publication: Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands
• Authors of publication: Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1423
• a: 10.6208 ± 0.0001 Å
• b: 20.3151 ± 0.0002 Å
• c: 18.8606 ± 0.0002 Å
• α: 90°
• β: 105.52°
• γ: 90°
• Cell volume: 3921.03 ± 0.07 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.0198
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.472
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No