Information card for entry 4121500

Structure parameters

• Common name: Complex 4
• Formula: C46.5 H64 Co N4 O4 P3 Th
• Calculated formula: C46.5 H64 Co N4 O4 P3 Th
• SMILES: c12ccccc1[N]13c4c(cccc4)N4C[P](C(C)C)(C(C)C)[Th]5634(N(c3ccccc13)C[P]5(C(C)C)C(C)C)(N2C[P]6(C(C)C)C(C)C)[O]#C[Co](C#[O])(C#[O])C#[O].c1ccccc1C
• 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: 11.2506 ± 0.0014 Å
• b: 15.9358 ± 0.0019 Å
• c: 29.701 ± 0.004 Å
• α: 82.195 ± 0.006°
• β: 83.056 ± 0.006°
• γ: 83.218 ± 0.006°
• Cell volume: 5208.9 ± 1.1 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: 0.0659
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0765
• 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