Information card for entry 1518766

Structure parameters

• Formula: C35 H25 F24 Fe Ni2 O14
• Calculated formula: C35 H25 F24 Fe Ni2 O14
• SMILES: [Ni]123([O]4[Fe]567([O]([Ni]89(OC(=CC(=[O]8)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]9)C(F)(F)F)C(F)(F)F)[O]7=C(C)C=C4C)C(=CC(=[O]25)C)C)OC(=CC(=[O]6)C)C)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)[O]=C(C=C(O3)C(F)(F)F)C(F)(F)F
• 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: 9.7682 ± 0.0007 Å
• b: 20.7583 ± 0.0015 Å
• c: 12.0575 ± 0.0009 Å
• α: 90°
• β: 103.126 ± 0.0017°
• γ: 90°
• Cell volume: 2381 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No