Information card for entry 7013102

Structure parameters

• Formula: C44 H38 Cu2 N6 O8 U
• Calculated formula: C44 H38 Cu2 N6 O8 U
• SMILES: [U]123456(Oc7c8[O]1[Cu]19([O]2c2c(C=[N]9CCC[N]1=Cc8ccc7)cccc2O3)[n]1ccccc1)Oc1cccc2C=[N]3[Cu]7([O]4c12)[O]5c1c(C=[N]7CCC3)cccc1O6.n1ccccc1
• Title of publication: Versatility of the nature of the magnetic Cu(II)–U(IV) interaction. Syntheses, crystal structures and magnetic properties of Cu2U and CuU compounds
• Authors of publication: Lionel Salmon; Pierre Thuéry; Eric Rivière; Jean-Jacques Girerd; Michel Ephritikhine
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2872 - 2880
• a: 17.4972 ± 0.0012 Å
• b: 26.2608 ± 0.0011 Å
• c: 17.325 ± 0.0013 Å
• α: 90°
• β: 91.654 ± 0.003°
• γ: 90°
• Cell volume: 7957.4 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1123
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No