Information card for entry 2002003

Structure parameters

• Formula: C13 H8 Fe N2 O3
• Calculated formula: C13 H8 Fe N2 O3
• 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: 6.525 ± 0.002 Å
• b: 13.183 ± 0.004 Å
• c: 14.031 ± 0.006 Å
• α: 90°
• β: 99.16 ± 0.04°
• γ: 90°
• Cell volume: 1191.5 ± 0.7 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.64
• Diffraction radiation wavelength: 0.71071 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No