Information card for entry 4115880

Structure parameters

• Common name: Fe2DPDO 3
• Formula: C81 H84 Cl3 Fe2 N8 O4
• Calculated formula: C81 H84 Cl3 Fe2 N8 O4
• Title of publication: Direct Observation of the "Pac-Man" Effect from Dibenzofuran-Bridged Cofacial Bisporphyrins
• Authors of publication: Yongqi Deng; Christopher J. Chang; Daniel G. Nocera
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 410 - 411
• a: 13.896 ± 0.002 Å
• b: 15.476 ± 0.003 Å
• c: 33.44 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7191 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No