Information card for entry 2203780

Structure parameters

• Chemical name: Chloro[N,N'-ethylenebis(5-carboxysalicylideneiminato)]iron(III)
• Formula: C18 H14 Cl Fe N2 O6
• Calculated formula: C18 H14 Cl Fe N2 O6
• SMILES: [Fe]123(Cl)Oc4ccc(cc4C=[N]2CC[N]3=Cc2cc(ccc2O1)C(=O)O)C(=O)O
• Title of publication: Chloro[<i>N,N</i>'-ethylenebis(5-carboxysalicylideneiminato)]iron(III)
• Authors of publication: Chen, Banglin; Contreras, Damacio S.; Clancy, Yvette L.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m732 - m734
• a: 9.177 ± 0.005 Å
• b: 15.124 ± 0.01 Å
• c: 13.334 ± 0.007 Å
• α: 90°
• β: 101.73 ± 0.02°
• γ: 90°
• Cell volume: 1812 ± 1.8 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.193
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes