Information card for entry 7113746

Structure parameters

• Formula: C61 H57 N9 O8 U Zn2
• Calculated formula: C61 H57 N9 O8 U Zn2
• SMILES: [U]123456(Oc7c8[O]1[Zn]19([O]2c2c(C=[N]9CC([N]1=Cc8ccc7)(C)C)cccc2O3)[n]1ccccc1)Oc1c2[O]4[Zn]34([O]5c5c(C=[N]4CC([N]3=Cc2ccc1)(C)C)cccc5O6)[n]1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Structure and magnetism of the first strictly dinuclear compound containing paramagnetic 3d and 5f metal ions. Major influence of the CuII ion coordination on the exchange CuII‒UIV interaction
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Rivière, Eric; Girerd, Jean-Jacques; Ephritikhine, Michel
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 762 - 763
• a: 20.1496 ± 0.0019 Å
• b: 14.6344 ± 0.0015 Å
• c: 19.2905 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5688.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104026
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No