Information card for entry 7041687

Structure parameters

• Formula: C48 H60 F18 Fe2 Li2 O12
• Calculated formula: C48 H60 F18 Fe2 Li2 O12
• 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: 11.3877 ± 0.0011 Å
• b: 11.8362 ± 0.0011 Å
• c: 11.972 ± 0.0011 Å
• α: 91.399 ± 0.002°
• β: 113.519 ± 0.002°
• γ: 100.038 ± 0.002°
• Cell volume: 1449.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No