Information card for entry 2204346

Structure parameters

• Chemical name: [Benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^O,N^2^,O']dichloroiron(III)
• Formula: C18 H17 Cl2 Fe N2 O3
• Calculated formula: C18 H17 Cl2 Fe N2 O3
• SMILES: [Fe]12(Cl)(Cl)OC(=CC(=[N]2NC(=[O]1)c1ccc(OC)cc1)C)c1ccccc1
• Title of publication: [Benzoylacetone (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,N</i>^2^,<i>O</i>']dichloroiron(III)
• Authors of publication: Gao, Shan; Zhang, Xian-Fa; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1447 - m1449
• a: 7.5958 ± 0.0003 Å
• b: 13.433 ± 0.0003 Å
• c: 18.588 ± 0.0004 Å
• α: 90°
• β: 94.973 ± 0.003°
• γ: 90°
• Cell volume: 1889.48 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0582
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes