Information card for entry 7014206

Structure parameters

• Formula: C46 H40 N4 O8 U
• Calculated formula: C46 H40 N4 O8 U
• SMILES: [U]1234(Oc5c(C=Nc6c(C[N]1=Cc1c(c(OC)ccc1)O2)cccc6)cccc5OC)[N](=Cc1c(c(ccc1)OC)O3)Cc1ccccc1N=Cc1c(O4)c(OC)ccc1
• Title of publication: Synthesis and crystal structure of uranium(IV) complexes with compartmental Schiff bases: from mononuclear species to tri- and tetranuclear clusters.
• Authors of publication: Salmon, Lionel; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1635 - 1643
• a: 16.234 ± 0.0009 Å
• b: 15.5787 ± 0.001 Å
• c: 17.2083 ± 0.001 Å
• α: 90°
• β: 111.144 ± 0.004°
• γ: 90°
• Cell volume: 4059.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No