Information card for entry 4334874

Structure parameters

• Formula: C20 H22 Cl4 Fe K O3 S4
• Calculated formula: C20 H22 Cl4 Fe K O3 S4
• SMILES: c12c(ccc(c1S[Fe]1(S2)Sc2c(ccc(c2S1)Cl)Cl)Cl)Cl.C1CCCO1.C1CCCO1.O.[K+]
• Title of publication: Electrical Bistability around Room Temperature in an Unprecedented One-Dimensional Coordination Magnetic Polymer
• Authors of publication: Pilar Amo-Ochoa; Esther Delgado; Carlos J. Gómez-García; Diego Hernández; Elisa Hernández; Avelino Martin; Félix Zamora
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5943 - 5950
• a: 9.3607 ± 0.0009 Å
• b: 22.276 ± 0.005 Å
• c: 13.218 ± 0.003 Å
• α: 90°
• β: 103.525 ± 0.011°
• γ: 90°
• Cell volume: 2679.8 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1203
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No