Information card for entry 2004874

Structure parameters

• Formula: C10 H11 B F4 Fe O3
• Calculated formula: C10 H11 B F4 Fe O3
• Title of publication: Tricarbonyl(η^5^-2,4-dimethylpentadienyl)iron Tetrafluoroborate
• Authors of publication: Rheingold, A. L.; Haggerty, B. S.; Ma, H.; Ernst, R. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1110 - 1112
• a: 11.095 ± 0.003 Å
• b: 10.098 ± 0.003 Å
• c: 11.607 ± 0.004 Å
• α: 90°
• β: 91.34 ± 0.03°
• γ: 90°
• Cell volume: 1300.1 ± 0.7 ų
• Cell temperature: 295 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 significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.0773
• Goodness-of-fit parameter for significantly intense reflections: 1.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No