Information card for entry 1519533

Structure parameters

• Formula: C24 H14 Br2 Fe O2
• Calculated formula: C24 H14 Br2 Fe O2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)c1cc2C(=O)c3ccc(cc3C(=O)c2cc1)Br)Br
• Title of publication: C24H14Br2FeO2
• Authors of publication: Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2003
• Pages of publication: 917
• a: 15.9575 ± 0.0004 Å
• b: 8.8522 ± 0.0002 Å
• c: 13.7492 ± 0.0003 Å
• α: 90°
• β: 101.905 ± 0.001°
• γ: 90°
• Cell volume: 1900.42 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No