Information card for entry 4331613

Structure parameters

• Formula: C56 H52 N8 O8 U Zn2
• Calculated formula: C56 H52 N8 O8 U Zn2
• SMILES: [U]123456(Oc7c8[O]1[Zn]19([O]2c2c(C=[N]9CCCC[N]1=Cc8ccc7)cccc2O3)[n]1ccccc1)Oc1c2[O]4[Zn]34([O]5c5c(C=[N]4CCCC[N]3=Cc2ccc1)cccc5O6)[n]1ccccc1.n1ccccc1.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: 18.0082 ± 0.0016 Å
• b: 15.5536 ± 0.0009 Å
• c: 18.6973 ± 0.0017 Å
• α: 90°
• β: 107.037 ± 0.003°
• γ: 90°
• Cell volume: 5007.1 ± 0.7 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: 0.133
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No