Information card for entry 4060233

Structure parameters

• Formula: C17 H8 Fe2 O5
• Calculated formula: C17 H8 Fe2 O5
• Title of publication: Thermally Reversible Photochemical Haptotropic Rearrangement of Diiron Carbonyl Complexes Bearing a Bridging Acenaphthylene or Aceanthrylene Ligand
• Authors of publication: Niibayashi, Shota; Matsubara, Kouki; Haga, Masa-aki; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 635 - 646
• a: 7.9815 ± 0.0017 Å
• b: 12.874 ± 0.0018 Å
• c: 7.8145 ± 0.0015 Å
• α: 100.42 ± 0.009°
• β: 111.648 ± 0.009°
• γ: 88.591 ± 0.012°
• Cell volume: 733.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No