Information card for entry 4067375

Structure parameters

• Formula: C11 H8 Fe N0 O7
• Calculated formula: C11 H8 Fe O7
• Title of publication: Iron(0) Tricarbonyl Complexes of Microbially Derived Cyclohexadiene Ligands Containing Quaternary Stereocenters
• Authors of publication: Ali Khan, Monika; Mahon, Mary F.; Stewart, Alan J. W.; Lewis, Simon E.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 199
• a: 6.688 ± 0.0003 Å
• b: 6.701 ± 0.0003 Å
• c: 46.634 ± 0.002 Å
• α: 85.896 ± 0.001°
• β: 85.972 ± 0.002°
• γ: 60.254 ± 0.003°
• Cell volume: 1808.47 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No