Information card for entry 7715470

Structure parameters

• Formula: C32 H18 Cl5 Fe N4 O6
• Calculated formula: C32 H18 Cl5 Fe N4 O6
• SMILES: [Fe]1234([n]5c6c(ccc5)cccc6[N]1=Cc1cc(Cl)cc(Cl)c1O3)[n]1c3c(ccc1)cccc3[N]2=Cc1cc(Cl)cc(Cl)c1O4.Cl(=O)(=O)(=O)[O-]
• Title of publication: Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.
• Authors of publication: Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 15
• Pages of publication: 6809 - 6817
• a: 14.289 ± 0.003 Å
• b: 17.702 ± 0.004 Å
• c: 15.399 ± 0.003 Å
• α: 90°
• β: 107.82 ± 0.03°
• γ: 90°
• Cell volume: 3708.2 ± 1.5 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: 0.0898
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.2486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No