Information card for entry 4121502

Structure parameters

• Common name: Complex 6
• Formula: C42 H60 Co N4 O3 P3 Th
• Calculated formula: C42 H60 Co N4 O3 P3 Th
• SMILES: c1cccc2c1N1C[P](C(C)C)(C(C)C)[Th]34561[Co](C#[O])(C#[O])(C#[O])[P](CN5c1c(cccc1)[N]23c1ccccc1N4C[P]6(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Photochemical route to actinide-transition metal bonds: synthesis, characterization and reactivity of a series of thorium and uranium heterobimetallic complexes.
• Authors of publication: Ward, Ashleigh L.; Lukens, Wayne W.; Lu, Connie C.; Arnold, John
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 9
• Pages of publication: 3647 - 3654
• a: 11.0757 ± 0.0007 Å
• b: 14.0911 ± 0.0008 Å
• c: 18.714 ± 0.0011 Å
• α: 80.318 ± 0.002°
• β: 74.876 ± 0.002°
• γ: 89.511 ± 0.003°
• Cell volume: 2777.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No