Information card for entry 4060234

Structure parameters

• Formula: C24 H13 Fe2 O5
• Calculated formula: C24 H13 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: 12.7522 ± 0.0019 Å
• b: 11.951 ± 0.002 Å
• c: 13.4917 ± 0.0016 Å
• α: 90°
• β: 103.053 ± 0.01°
• γ: 90°
• Cell volume: 2003.1 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No