Information card for entry 7102234

Structure parameters

• Formula: C32 H28 Fe2 O4
• Calculated formula: C32 H28 Fe2 O4
• Title of publication: Changes in electronic couplings of mixed-valence systems due to through-space intramolecular interactions.
• Authors of publication: Figueira-Duarte, Teresa M; Lloveras, Vega; Vidal-Gancedo, José; Gégout, Aline; Delavaux-Nicot, Béatrice; Welter, Richard; Veciana, Jaume; Rovira, Concepció; Nierengarten, Jean-François
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4345 - 4347
• a: 9.687 ± 0.0003 Å
• b: 11.477 ± 0.0004 Å
• c: 12.562 ± 0.0005 Å
• α: 108.25 ± 0.05°
• β: 93.06 ± 0.05°
• γ: 93.8 ± 0.05°
• Cell volume: 1319.4 ± 0.4 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: 0.1234
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No