Information card for entry 1518761

Structure parameters

• Formula: C25 H23 F12 Fe2 O10
• Calculated formula: C25 H23 F12 Fe2 O10
• SMILES: [Fe]123([O]=C(C=C(O1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[O]1[Fe]24([O]=C(C=C1C)C)([O]3C(C)=CC(=[O]2)C)OC(=CC(=[O]4)C)C
• Title of publication: Mixed-valent, heteroleptic homometallic diketonates as templates for the design of volatile heterometallic precursors
• Authors of publication: Lieberman, Craig M.; Filatov, Alexander S.; Wei, Zheng; Rogachev, Andrey Yu.; Abakumov, Artem M.; Dikarev, Evgeny V.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 2835
• a: 9.507 ± 0.002 Å
• b: 11.729 ± 0.003 Å
• c: 16.605 ± 0.004 Å
• α: 102.703 ± 0.002°
• β: 96.771 ± 0.002°
• γ: 112.595 ± 0.002°
• Cell volume: 1625 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No