Information card for entry 7023679

Structure parameters

• Common name: Fe-A-2
• Chemical name: rao03
• Formula: C10 H31 Fe N6 O12
• Calculated formula: C10 H31 Fe N6 O12
• SMILES: C12CCCC3=[N]2[Fe]24([N]5=C(CCCC5=NO4)NO2)([O]=N=1)ON3.O.O.O.O.O.O.O.O
• Title of publication: Complexation of glutarimidedioxime with Fe(III), Cu(II), Pb(II), and Ni(II), the competing ions for the sequestration of U(VI) from seawater.
• Authors of publication: Sun, Xiaoqi; Xu, Chao; Tian, Guoxin; Rao, Linfeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 40
• Pages of publication: 14621 - 14627
• a: 14.102 ± 0.004 Å
• b: 11.929 ± 0.003 Å
• c: 12.857 ± 0.003 Å
• α: 90°
• β: 91.976 ± 0.003°
• γ: 90°
• Cell volume: 2161.6 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0265
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No