Information card for entry 7713729

Structure parameters

• Chemical name: [μ-ethanebis(thioic S-acid)ato]-bis{1-(pyridin-2-yl)-N,N-bis[(pyridin-2-yl)methyl]methanamine}-di-iron diperchlorate
• Formula: C38 H36 Cl2 Fe2 N8 O10 S2
• Calculated formula: C38 H36 Cl2 Fe2 N8 O10 S2
• Title of publication: Investigation for Unique Magnetic Behaviours of Isomers in 1,2-Dithiooxalato-Bridged Diiron(II) Complex
• Authors of publication: KANETOMO, Takuya; Yokoyama, Koki; Suzuki, Yudai; Ida, Hiromichi; Okazawa, Atsushi; Enomoto, Masaya
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.5293 ± 0.0015 Å
• b: 13.955 ± 0.002 Å
• c: 17.003 ± 0.003 Å
• α: 90°
• β: 104.716 ± 0.004°
• γ: 90°
• Cell volume: 2186.9 ± 0.6 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 K
• Number of distinct elements: 7
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1647
• 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: No