Information card for entry 4342375

Structure parameters

• Formula: C32 H24 Cl8 Fe2 Na2 O4 S8
• Calculated formula: C32 H24 Cl8 Fe2 Na2 O4 S8
• SMILES: c12c(ccc(c2S[Fe]23(S1)Sc1c(ccc(Cl)c1[S]2[Fe]12(Sc4c(c(ccc4Cl)Cl)S1)Sc1c(c(Cl)ccc1Cl)[S]32)Cl)Cl)Cl.[Na+].O1CCCC1.O1CCCC1.[Na+].O.O
• 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: 9.2449 ± 0.0007 Å
• b: 12.206 ± 0.0009 Å
• c: 19.7913 ± 0.0012 Å
• α: 98.708 ± 0.006°
• β: 101.342 ± 0.006°
• γ: 97.664 ± 0.006°
• Cell volume: 2133.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2212
• Residual factor for significantly intense reflections: 0.1815
• Weighted residual factors for significantly intense reflections: 0.4515
• Weighted residual factors for all reflections included in the refinement: 0.4673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No