Information card for entry 2211103

Structure parameters

• Chemical name: Dicarbonyl(η^5^-cyclopentadienyl)-1-phenyl-3,4-dimethylphospholeiron(II) tetrafluoroborate
• Formula: C19 H18 B F4 Fe O2 P
• Calculated formula: C19 H18 B F4 Fe O2 P
• Title of publication: Dicarbonyl(η^5^-cyclopentadienyl)(1-phenyl-3,4-dimethylphosphole)iron(II) tetrafluoroborate
• Authors of publication: Guido J. Reiß; Christian Ganter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2940 - m2941
• a: 8.6625 ± 0.0009 Å
• b: 17.1238 ± 0.0018 Å
• c: 14.069 ± 0.0015 Å
• α: 90°
• β: 103.588 ± 0.011°
• γ: 90°
• Cell volume: 2028.5 ± 0.4 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1159
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes