Information card for entry 2235670

Structure parameters

• Chemical name: (acetonitrile-κ<i>N</i>)dicarbonyl(η^5^-cyclopentadienyl)iron(II) tetrafluoridoborate
• Formula: C9 H8 B F4 Fe N O2
• Calculated formula: C9 H8 B F4 Fe N O2
• Title of publication: Redetermination of (acetonitrile-κ<i>N</i>)dicarbonyl(η^5^-cyclopentadienyl)iron(II) tetrafluoridoborate
• Authors of publication: Kückmann, Theresa; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m966
• a: 6.8842 ± 0.0007 Å
• b: 15.289 ± 0.002 Å
• c: 11.4353 ± 0.0012 Å
• α: 90°
• β: 95.192 ± 0.008°
• γ: 90°
• Cell volume: 1198.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0607
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1509
• 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: Yes
• Has Fobs: Yes