Information card for entry 4080342

Structure parameters

• Formula: C43 H69 Br3 N2 O2 Th
• Calculated formula: C39 H61 Br3 N2 O Th
• SMILES: [O]1([Th]2(Br)(Br)(Br)[N](=C(C=C(N2c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)CCCC1
• 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: 25.94 ± 0.005 Å
• b: 21.3 ± 0.004 Å
• c: 17.171 ± 0.003 Å
• α: 90°
• β: 115.181 ± 0.003°
• γ: 90°
• Cell volume: 8586 ± 3 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No