Information card for entry 4342370

Structure parameters

• Formula: C20 H20 Cl4 Fe K O2 S4
• Calculated formula: C20 H20 Cl4 Fe K O2 S4
• SMILES: c12c(ccc(c1S[Fe]1(S2)Sc2c(ccc(c2S1)Cl)Cl)Cl)Cl.C1CCCO1.C1CCCO1.[K+]
• Title of publication: Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling.
• Authors of publication: Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2243
• a: 8.358 ± 0.0018 Å
• b: 12.207 ± 0.0009 Å
• c: 13.146 ± 0.003 Å
• α: 72.886 ± 0.017°
• β: 81.607 ± 0.016°
• γ: 86.142 ± 0.013°
• Cell volume: 1267.7 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No