Information card for entry 4347507

Structure parameters

• Formula: C36 H20 Fe N10 S4
• Calculated formula: C36 H20 Fe N10 S4
• SMILES: c1ccc2c3c4c(ccc[n]4[Fe]4(N=C=S)(n13)(N=C=S)[n]1cccc3c1c1c(ccc[n]41)c1[nH]c(nc31)c1ccsc1)c1[nH]c([n]c21)c1ccsc1
• 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: 12.6615 ± 0.0006 Å
• b: 9.8438 ± 0.0006 Å
• c: 26.6819 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3325.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No