Information card for entry 4310619

Structure parameters

• Formula: C23 H26 Fe2 N6 O3 S2
• Calculated formula: C23 H26 Fe2 N6 O3 S2
• SMILES: [Fe]123([O]=C(O[Fe]45([O]1C(CC[N]3=C(c1[n]2cccc1)C)CC[N]5=C(c1[n]4cccc1)C)N=C=S)C)N=C=S
• Title of publication: New Poly-Iron(II) Complexes of N4O Dinucleating Schiff Bases and Pseudohalides: Syntheses, Structures, and Magnetic and Mössbauer Properties
• Authors of publication: Athanassios K. Boudalis; Juan-Modesto Clemente-Juan; Françoise Dahan; Jean-Pierre Tuchagues
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1574 - 1586
• a: 8.038 ± 0.0007 Å
• b: 12.4495 ± 0.0008 Å
• c: 27.358 ± 0.002 Å
• α: 90°
• β: 92.18 ± 0.01°
• γ: 90°
• Cell volume: 2735.7 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No