Information card for entry 2008074

Structure parameters

• Chemical name: Trans-Dicarbonyl(2,3,5,6-tetrafluorophenyl)bromo((5-cyclopentadienyl)rhenium (III)
• Formula: C13 H6 Br F4 O2 Re
• Calculated formula: C13 H6 Br F4 O2 Re
• SMILES: [Re](Br)(C#[O])(C#[O])(c1c(F)c(F)cc(F)c1F)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23
• Title of publication: <i>trans</i>-Bromodicarbonyl(η^5^-cyclopentadienyl)(2,3,5,6-tetrafluorophenyl)rhenium(III)
• Authors of publication: María Teresa Garland; Ricardo F. Baggio; A. Hugo Klahn; Beatriz Oëlckers
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 61 - 62
• a: 7.864 ± 0.002 Å
• b: 6.964 ± 0.002 Å
• c: 24.361 ± 0.006 Å
• α: 90°
• β: 97.74 ± 0.02°
• γ: 90°
• Cell volume: 1322 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No