Information card for entry 2005197

Structure parameters

• Formula: C26 H18 Br2 Cl Fe N2 O2
• Calculated formula: C26 H18 Br2 Cl Fe N2 O2
• SMILES: [Fe]12(Cl)(Oc3c(C=[N]1c1ccc(Br)cc1)cccc3)Oc1ccccc1C=[N]2c1ccc(Br)cc1
• Title of publication: A Five-Coordinate Bis(<i>p</i>-bromophenylsalicylaldimino)chloroiron(III) Complex
• Authors of publication: Elerman, Y.; Paulus, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1971 - 1973
• a: 10.068 ± 0.001 Å
• b: 21.731 ± 0.002 Å
• c: 11.293 ± 0.001 Å
• α: 90°
• β: 98.26 ± 0.01°
• γ: 90°
• Cell volume: 2445.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.049
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.075
• Goodness-of-fit parameter for all reflections: 1.049
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No