Information card for entry 4120360

Structure parameters

• Formula: C15 H3 F18 Fe Na O6
• Calculated formula: C15 H3 F18 Fe Na O6
• SMILES: C1=C(C(F)(F)F)O[Fe]23([O]=C1C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F.[Na+]
• Title of publication: Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials
• Authors of publication: Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 12216 - 12219
• a: 18.0016 ± 0.0004 Å
• b: 18.0016 ± 0.0004 Å
• c: 12.3451 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3464.55 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No