Information card for entry 4121503

Structure parameters

• Common name: Complex 7
• Formula: C52.5 H72 Co N4 O3 P3 U
• Calculated formula: C52.5 H72 Co N4 O3 P3 U
• SMILES: C(#[O])[Co]1(C#[O])(C#[O])[P](CN2c3c(cccc3)[N]34c5c(cccc5)N5C[P](C(C)C)(C(C)C)[U]61245N(c1ccccc31)C[P]6(C(C)C)C(C)C)(C(C)C)C(C)C.c1cccc(c1)C.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: 14.0553 ± 0.0004 Å
• b: 18.7308 ± 0.0005 Å
• c: 22.2945 ± 0.0006 Å
• α: 73.83 ± 0.001°
• β: 89.024 ± 0.001°
• γ: 80.541 ± 0.001°
• Cell volume: 5558 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No