Information card for entry 1518765

Structure parameters

• Formula: C25 H23 F12 Fe Mn O10
• Calculated formula: C25 H23 F12 Fe Mn O10
• SMILES: [Fe]1234(OC(=CC(=[O]1)C)C)[O]=C(C=C([O]2[Mn]12([O]4C(=CC(=[O]3)C)C)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)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: 9.464 ± 0.0006 Å
• b: 11.8255 ± 0.0008 Å
• c: 16.508 ± 0.0011 Å
• α: 102.022 ± 0.0018°
• β: 97.859 ± 0.0018°
• γ: 112.682 ± 0.0017°
• Cell volume: 1618.3 ± 0.19 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: 0.0729
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No