Information card for entry 7205294

Structure parameters

• Formula: C48 H48 N6 Ni2 O18 U
• Calculated formula: C48 H48 N6 Ni2 O18 U
• SMILES: c1(c2O[Ni]34Oc5c(C=[N]4c4c([N]3=Cc2ccc1)cccc4)cccc5OCC)OCC.O=[U]12(ON(=O)=[O]1)(ON(=O)=[O]2)(=O)([OH2])[OH2].CCOc1cccc2c1O[Ni]13[N](c4c([N]1=C2)cccc4)=Cc1cccc(OCC)c1O3
• Title of publication: Bis(nitrate)diaquauranyl(vi) synthon to generate [1 ×2 + 1 ×1] and [1 ×1 + 1 ×1] co-crystalized 3d⋯5f self-assemblies
• Authors of publication: Bhattacharya, Sagarika; Mondal, Suraj; Sasmal, Sujit; Sparkes, Hazel A.; Howard, Judith A. K.; Nayak, Malabika; Mohanta, Sasankasekhar
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1029
• a: 9.5289 ± 0.0003 Å
• b: 11.6487 ± 0.0004 Å
• c: 11.8174 ± 0.0004 Å
• α: 70.475 ± 0.003°
• β: 88.426 ± 0.002°
• γ: 77.801 ± 0.003°
• Cell volume: 1207.05 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No