Information card for entry 4305525

Structure parameters

• Formula: C22 H26 Cl2 Fe N4 O6 S4
• Calculated formula: C22 H26 Cl2 Fe N4 O6 S4
• SMILES: Cl[Fe]12(Cl)([N](=C3SCCS3)NC(c3c(cccc3)O)=[O]1)[N](=C1SCCS1)NC(c1c(cccc1)O)=[O]2.OC.OC
• Title of publication: Synthesis and Magnetic Properties of New Mono- and Binuclear Iron Complexes with Salicyloylhydrazono Dithiolane Ligand
• Authors of publication: Nouri Bouslimani; Nicolas Clément; Guillaume Rogez; Philippe Turek; Maxime Bernard; Samuel Dagorne; David Martel; Hoan Nguyen Cong; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7623 - 7630
• a: 10.536 ± 0.0005 Å
• b: 8.906 ± 0.0007 Å
• c: 16.656 ± 0.0012 Å
• α: 90°
• β: 111.872 ± 0.004°
• γ: 90°
• Cell volume: 1450.39 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1358
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No