Information card for entry 2203608

Structure parameters

• Chemical name: Dichloro(methanol-κO)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^O,O',N]iron(III) methanol solvate
• Formula: C18 H23 Cl2 Fe N2 O6
• Calculated formula: C18 H23 Cl2 Fe N2 O6
• SMILES: [Fe]12(Cl)(Cl)([N](NC(=[O]2)c2ccc(OC)cc2)=Cc2c(O1)c(OC)ccc2)[OH]C.OC
• Title of publication: Dichloro(methanol-κ<i>O</i>)[3-methoxysalicylaldehyde (4-methoxybenzoyl)hydrazonato-κ^3^<i>O,O</i>',<i>N</i>]iron(III) methanol solvate
• Authors of publication: Huo, Li-Hua; Gao, Shan; Liu, Ji-Wei; Li, Jing; Zhao, Hui; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m673 - m675
• a: 17.226 ± 0.003 Å
• b: 10.622 ± 0.002 Å
• c: 12.096 ± 0.002 Å
• α: 90°
• β: 105.42 ± 0.03°
• γ: 90°
• Cell volume: 2133.6 ± 0.7 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: 0.123
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes