Information card for entry 4331614

Structure parameters

• Formula: C46 H42 Cu2 N6 O8 U
• Calculated formula: C46 H42 Cu2 N6 O8 U
• SMILES: [U]123456(Oc7c8[O]1[Cu]19([O]2c2c(C=[N]9CCCC[N]1=Cc8ccc7)cccc2O3)[n]1ccccc1)Oc1c2[O]4[Cu]34([O]5c5c(C=[N]4CCCC[N]3=Cc2ccc1)cccc5O6)[n]1ccccc1
• Title of publication: Synthesis, Structure, and Magnetic Behavior of a Series of Trinuclear Schiff Base Complexes of 5f (UIV, ThIV) and 3d (CuII, ZnII) Ions
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Ephritikhine, Michel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 83 - 93
• a: 19.7974 ± 0.0011 Å
• b: 16.0236 ± 0.001 Å
• c: 13.0921 ± 0.0008 Å
• α: 90°
• β: 91.658 ± 0.004°
• γ: 90°
• Cell volume: 4151.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No