Information card for entry 7041683

Structure parameters

• Formula: C15 H21 Fe Li O6
• Calculated formula: C15 H21 Fe Li O6
• SMILES: C1=C(C)O[Fe]23([O]=C1C)(OC(=CC(C)=[O]3)C)[O]=C(C=C(C)O2)C.[Li+]
• Title of publication: Heterometallic molecular precursors for a lithium-iron oxide material: synthesis, solid state structure, solution and gas-phase behaviour, and thermal decomposition.
• Authors of publication: Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Filatov, Alexander S.; Dikarev, Evgeny V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 5644 - 5649
• a: 16.352 ± 0.003 Å
• b: 16.352 ± 0.003 Å
• c: 10.8897 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2521.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No