Information card for entry 4121499

Structure parameters

• Common name: Complex 3
• Formula: C39 H60 Cl N4 P3 U
• Calculated formula: C39 H60 Cl N4 P3 U
• SMILES: c12ccccc1N(CP(C(C)C)C(C)C)[U]13(N(c4c(cccc4)[N]23c2ccccc2N1CP(C(C)C)C(C)C)CP(C(C)C)C(C)C)Cl
• 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: 13.5354 ± 0.0004 Å
• b: 16.0795 ± 0.0003 Å
• c: 33.6127 ± 0.0008 Å
• α: 95.019 ± 0.001°
• β: 97.555 ± 0.001°
• γ: 106.033 ± 0.001°
• Cell volume: 6910.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No