Information card for entry 4325496

Structure parameters

• Formula: C54 H39 Fe O3
• Calculated formula: C54 H39 Fe O3
• SMILES: c1(ccccc1)c1c(O[Fe](Oc2c(cccc2c2ccccc2)c2ccccc2)Oc2c(cccc2c2ccccc2)c2ccccc2)c(ccc1)c1ccccc1
• Title of publication: Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6174 - 6182
• a: 10.5954 ± 0.0005 Å
• b: 10.5954 ± 0.0005 Å
• c: 10.5954 ± 0.0005 Å
• α: 97.214 ± 0.001°
• β: 97.214 ± 0.001°
• γ: 97.214 ± 0.001°
• Cell volume: 1158.57 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :R
• Hall space group symbol: P 3*
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No