Information card for entry 2002004

Structure parameters

• Formula: C15 H14 Fe O7
• Calculated formula: C15 H14 Fe O7
• Title of publication: Two iron‒tricarbonyl complexes with substituted bicyclo[2.2.2]octadienes
• Authors of publication: Irngartinger, H.; Oeser, T.; Köhler, C.-M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 378 - 381
• a: 8.18 ± 0.001 Å
• b: 8.097 ± 0.001 Å
• c: 23.059 ± 0.004 Å
• α: 90°
• β: 91.03 ± 0.01°
• γ: 90°
• Cell volume: 1527 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71071 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No