Information card for entry 4121498

Structure parameters

• Common name: Complex 2
• Formula: C39 H60 Cl N4 P3 Th
• Calculated formula: C39 H60 Cl N4 P3 Th
• SMILES: c12ccccc1[N]13c4c(cccc4)N4C[P](C(C)C)(C(C)C)[Th]5634(N2C[P]5(C(C)C)C(C)C)(N(c2ccccc12)C[P]6(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: 11.5293 ± 0.001 Å
• b: 12.2573 ± 0.001 Å
• c: 16.7699 ± 0.0014 Å
• α: 94.757 ± 0.004°
• β: 101.488 ± 0.004°
• γ: 115.104 ± 0.004°
• Cell volume: 2065.3 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No