Information card for entry 4305523

Structure parameters

• Formula: C23 H24 Cl Fe N5 O5 S4
• Calculated formula: C23 H24 Cl Fe N5 O5 S4
• SMILES: [Fe]12(Cl)(OC(=N[N]1=C1SCCS1)c1c(O)cccc1)(OC(=N[N]2=C1SCCS1)c1c(O)cccc1)[O]=CN(C)C
• 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: 19.218 ± 0.0003 Å
• b: 9.762 ± 0.0002 Å
• c: 16.248 ± 0.0005 Å
• α: 90°
• β: 98.396 ± 0.001°
• γ: 90°
• Cell volume: 3015.55 ± 0.12 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: 0.1441
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2202
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No