Information card for entry 4342374

Structure parameters

• Common name: DH-80-1_LT
• Formula: C32 H24 Cl8 Fe2 Na2 O4 S8
• Calculated formula: C32 H24 Cl8 Fe2 Na2 O4 S8
• SMILES: c12c(Cl)ccc(Cl)c1S[Fe]13(S2)[S](c2c(ccc(c2S1)Cl)Cl)[Fe]12(Sc4c(Cl)ccc(Cl)c4S1)[S]3c1c(Cl)ccc(Cl)c1S2.[Na]1([OH2][Na]([O]2CCCC2)[OH2]1)[O]1CCCC1
• 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: 27.0829 ± 0.0013 Å
• b: 9.1347 ± 0.0005 Å
• c: 22.853 ± 0.0012 Å
• α: 90°
• β: 103.735 ± 0.002°
• γ: 90°
• Cell volume: 5492 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.257
• Weighted residual factors for all reflections included in the refinement: 0.2886
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No