Information card for entry 1519340

Structure parameters

• Formula: C34 H24 Fe2 O2
• Calculated formula: C34 H24 Fe2 O2
• Title of publication: C34H24Fe2O2
• Authors of publication: Butler, Ian. R.; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 830
• a: 9.9133 ± 0.0002 Å
• b: 11.0918 ± 0.0004 Å
• c: 11.8105 ± 0.0004 Å
• α: 83.123 ± 0.001°
• β: 66.048 ± 0.0012°
• γ: 83.667 ± 0.0012°
• Cell volume: 1175.54 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0615
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No