Information card for entry 4305522

Structure parameters

• Formula: C44 H50 Fe2 N8 O12 S8
• Calculated formula: C44 H50 Fe2 N8 O12 S8
• SMILES: [Fe]123([O]([Fe]45([O]1C)(OC(=N[N]4=C1SCCS1)c1c(O)cccc1)OC(=N[N]5=C1SCCS1)c1c(O)cccc1)C)(OC(=N[N]2=C1SCCS1)c1c(O)cccc1)OC(=N[N]3=C1SCCS1)c1c(O)cccc1.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: 16.682 ± 0.0003 Å
• b: 15.831 ± 0.0003 Å
• c: 21.218 ± 0.0005 Å
• α: 90°
• β: 105.402 ± 0.0007°
• γ: 90°
• Cell volume: 5402.28 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1076
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No