Information card for entry 2231636

Structure parameters

• Chemical name: (<i>μ</i>-Formato-<i>κ</i>^2^<i>O</i>:<i>O</i>')bis[dicarbonyl(<i>η</i>^5^- cyclopentadienyl)iron(II)] tetrafluoridoborate
• Formula: C15 H11 B F4 Fe2 O6
• Calculated formula: C15 H11 B F4 Fe2 O6
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]2345(C#[O])(C#[O])[O]=CO[Fe]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O].[B](F)(F)(F)[F-]
• Title of publication: (<i>{μ</i>}-Formato-<i>{κ</i>}^2^<i>O</i>:<i>O</i>')bis[dicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)iron(II)] tetrafluoridoborate
• Authors of publication: M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Omondi, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1252
• a: 7.4964 ± 0.0005 Å
• b: 17.8845 ± 0.0014 Å
• c: 14.1931 ± 0.0009 Å
• α: 90°
• β: 115.144 ± 0.003°
• γ: 90°
• Cell volume: 1722.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes