Information card for entry 4325493

Structure parameters

• Formula: C46 H36 Fe N2 O2
• Calculated formula: C46 H36 Fe N2 O2
• SMILES: [Fe]([n]1ccccc1)([n]1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)Oc1c(cccc1c1ccccc1)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: 13.131 ± 0.002 Å
• b: 15.622 ± 0.003 Å
• c: 19.182 ± 0.004 Å
• α: 90°
• β: 109.558 ± 0.003°
• γ: 90°
• Cell volume: 3707.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No