Information card for entry 7111783

Structure parameters

• Formula: C20 H20 Cl2 Fe O18
• Calculated formula: C20 H20 Cl2 Fe O18
• Title of publication: Synthesis and structural characterization of a fused bispyrone and preparation of the first metal bispyrylium complexes
• Authors of publication: Waynant, Kristopher V.; White, James D.; Zakharov, Lev
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 5304 - 5306
• a: 10.113 ± 0.002 Å
• b: 12.627 ± 0.003 Å
• c: 10.339 ± 0.002 Å
• α: 90°
• β: 95.402 ± 0.004°
• γ: 90°
• Cell volume: 1314.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No