Information card for entry 7715469

Structure parameters

• Formula: C32 H18 B Cl4 F4 Fe N4 O2
• Calculated formula: C32 H18 B Cl4 F4 Fe N4 O2
• 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.[B](F)(F)([F-])F
• 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: 9.575 ± 0.0019 Å
• b: 12.544 ± 0.003 Å
• c: 16.518 ± 0.003 Å
• α: 94.12 ± 0.03°
• β: 103.45 ± 0.03°
• γ: 97.39 ± 0.03°
• Cell volume: 1902.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1221
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.287
• Weighted residual factors for all reflections included in the refinement: 0.3042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No