Information card for entry 4121501

Structure parameters

• Common name: Complex 5
• Formula: C43 H60 Co N4 O4 P3 U
• Calculated formula: C43 H60 Co N4 O4 P3 U
• SMILES: c12c(cccc1)N1C[P](C(C)C)(C(C)C)[U]34561([N]2(c1ccccc1N3C[P]5(C(C)C)C(C)C)c1ccccc1N4C[P]6(C(C)C)C(C)C)[O]#C[Co](C#[O])(C#[O])C#[O]
• 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: 23.0608 ± 0.0009 Å
• b: 14.0118 ± 0.0006 Å
• c: 14.0919 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4553.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No