Information card for entry 2013575

Structure parameters

• Chemical name: bis(2,2'-bipyridine)di-μ~3~-oxo-hexa-μ-trifluoroacetato- bis(trifluoroacetato)tetrairon(III) trifluoroacetic acid solvate
• Formula: C38 H17 F27 Fe4 N4 O20
• Calculated formula: C38 H17 F27 Fe4 N4 O20
• Title of publication: Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H
• Authors of publication: Bacsa, John; Zhao, Hanhua; Kim R. Dunbar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m561 - m564
• a: 12.733 ± 0.003 Å
• b: 19.015 ± 0.004 Å
• c: 22.222 ± 0.004 Å
• α: 90°
• β: 91.63 ± 0.03°
• γ: 90°
• Cell volume: 5378 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No