Information card for entry 4331611

Structure parameters

• Formula: C59 H47 N7 O8 U Zn2
• Calculated formula: C59 H47 N7 O8 U Zn2
• SMILES: [U]123456(Oc7c8[O]1[Zn]19([O]2c2c(C=[N]9c9c([N]1=Cc8ccc7)cc(c(c9)C)C)cccc2O3)[n]1ccccc1)Oc1c2[O]4[Zn]34([O]5c5c(C=[N]4c4c([N]3=Cc2ccc1)cc(c(c4)C)C)cccc5O6)[n]1ccccc1.n1ccccc1
• 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: 13.5131 ± 0.0007 Å
• b: 24.7965 ± 0.0015 Å
• c: 16.0543 ± 0.0005 Å
• α: 90°
• β: 109.326 ± 0.003°
• γ: 90°
• Cell volume: 5076.3 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No