Information card for entry 4347508

Structure parameters

• Formula: C36 H20 Fe N10 S4
• Calculated formula: C36 H20 Fe N10 S4
• SMILES: c1cc[n]2c3c1c1c(c4ccc[n](c34)[Fe]32(N=C=S)(N=C=S)[n]2cccc4c5c(c6ccc[n]3c6c24)nc([nH]5)c2sccc2)[nH]c(n1)c1sccc1
• Title of publication: Two Magnetic Switching Complexes Based on the Fe(II) Ion.
• Authors of publication: Yang, Qian; Gao, Chen; Wang, Ye-Xin; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 7805 - 7807
• a: 12.7935 ± 0.0008 Å
• b: 26.6085 ± 0.0018 Å
• c: 9.9374 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3382.8 ± 0.4 ų
• Cell temperature: 100.02 ± 0.12 K
• Ambient diffraction temperature: 100.02 ± 0.12 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No