Information card for entry 4338183

Structure parameters

• Chemical name: bis(di(hexafluoroacetylacetonate)-iron(II)- bis((acetylacetonate)(hexafluoroacetylacetonate)-lead(II))
• Formula: C40 H20 F36 Fe2 O16 Pb2
• Calculated formula: C40 H20 F36 Fe2 O16 Pb2
• SMILES: FC(F)(F)C1=[O][Fe]23(OC(=C1)C(F)(F)F)([O]1=C(C)C=C(C)[O]([Fe]45([O]6[Pb]7(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)[O]2=C(C=C6C)C)([O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)[Pb]21OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Mixed-ligand approach to design of heterometallic single-source precursors with discrete molecular structure.
• Authors of publication: Lieberman, Craig M.; Navulla, Anantharamulu; Zhang, Haitao; Filatov, Alexander S.; Dikarev, Evgeny V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4733 - 4738
• a: 11.6773 ± 0.0019 Å
• b: 18.927 ± 0.003 Å
• c: 13.844 ± 0.002 Å
• α: 90°
• β: 105.021 ± 0.002°
• γ: 90°
• Cell volume: 2955.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No