Information card for entry 4003120

Structure parameters

• Formula: C12 H6 Cl4 F18 Fe4 O16
• Calculated formula: C12 H6 Cl4 F18 Fe4 O16
• SMILES: [Fe]1234([O]5[Fe]6([OH2])([O]=C(O3)C(F)(F)F)(OC(=[O]4)C(F)(F)F)[O]=C(O[Fe]5([OH2])([O]=C(O1)C(F)(F)F)(OC(=[O]2)C(F)(F)F)[O]=C(O6)C(F)(F)F)C(F)(F)F)[OH2].[Fe](Cl)(Cl)(Cl)[Cl-]
• Title of publication: Popcorn-Shaped Fe _<i>x</i> O (Wüstite) Nanoparticles from a Single-Source Precursor: Colloidal Synthesis and Magnetic Properties.
• Authors of publication: Guntlin, Christoph P.; Ochsenbein, Stefan T.; Wörle, Michael; Erni, Rolf; Kravchyk, Kostiantyn V.; Kovalenko, Maksym V.
• Journal of publication: Chemistry of materials : a publication of the American Chemical Society
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 1249 - 1256
• a: 13.536 ± 0.0007 Å
• b: 15.0772 ± 0.0007 Å
• c: 17.4768 ± 0.0008 Å
• α: 90°
• β: 109.942 ± 0.001°
• γ: 90°
• Cell volume: 3352.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No