Information card for entry 2223510

Structure parameters

• Chemical name: Hexaaquairon(II) bis[<i>fac</i>-tribromidotricarbonylferrate(II)]
• Formula: C6 H12 Br6 Fe3 O12
• Calculated formula: C6 H12 Br6 Fe3 O12
• SMILES: C(#[O])[Fe](Br)(Br)(C#[O])(C#[O])Br.[Fe]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].C(#[O])[Fe](C#[O])(C#[O])(Br)(Br)Br
• Title of publication: Hexaaquairon(II) bis[<i>fac</i>-tribromidotricarbonylferrate(II)]
• Authors of publication: Becker, Eva; Kirchner, Karl; Mereiter, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: i71
• a: 11.9334 ± 0.0008 Å
• b: 9.3394 ± 0.0006 Å
• c: 20.5775 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2293.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes