Information card for entry 7205292

Structure parameters

• Formula: C40 H48 N6 Ni2 O18 U
• Calculated formula: C40 H48 N6 Ni2 O18 U
• SMILES: C(Oc1c2c(C=[N]3[Ni]4([N](=Cc5c(c(OCC)ccc5)O4)CC3)O2)ccc1)C.N1(=[O][U]2(O1)(=O)([OH2])(ON(=O)=[O]2)(=O)[OH2])=O.CCOc1c2c(C=[N]3CC[N]4=Cc5cccc(c5O[Ni]34O2)OCC)ccc1
• 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: 13.8255 ± 0.0008 Å
• b: 6.7309 ± 0.0004 Å
• c: 23.8617 ± 0.0015 Å
• α: 90°
• β: 99.269 ± 0.001°
• γ: 90°
• Cell volume: 2191.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No